PubChemLite - 1h-pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl-, [(1e)-1h-indol-2-ylmethylene]hydrazide (C26H26N4O3)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N/N=C/C3=CC4=CC=CC=C4N3)C

InChI

InChI=1S/C26H26N4O3/c1-4-33-26(32)24-17(2)25(19-10-6-5-7-11-19)30(18(24)3)16-23(31)29-27-15-21-14-20-12-8-9-13-22(20)28-21/h5-15,28H,4,16H2,1-3H3,(H,29,31)/b27-15+

InChIKey

IACZIPCVAIPREQ-JFLMPSFJSA-N

Compound name

ethyl 1-[2-[(2E)-2-(1H-indol-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	443.20778	208.8
[M+Na]+	465.18972	215.6
[M-H]-	441.19322	218.2
[M+NH4]+	460.23432	219.2
[M+K]+	481.16366	209.6
[M+H-H2O]+	425.19776	198.6
[M+HCOO]-	487.19870	231.5
[M+CH3COO]-	501.21435	235.8
[M+Na-2H]-	463.17517	207.1
[M]+	442.19995	213.5
[M]-	442.20105	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.20778

208.8

[M+Na]+

465.18972

215.6

[M-H]-

441.19322

218.2

[M+NH4]+

460.23432

219.2

[M+K]+

481.16366

209.6

[M+H-H2O]+

425.19776

198.6

[M+HCOO]-

487.19870

231.5

[M+CH3COO]-

501.21435

235.8

[M+Na-2H]-

463.17517

207.1

[M]+

442.19995

213.5

[M]-

442.20105

213.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1h-pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl-, [(1e)-1h-indol-2-ylmethylene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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