PubChemLite - Brn 6018027 (C26H26N4O3)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC4=CC=CC=C4C=C3)O)CN5CCCC5

InChI

InChI=1S/C26H26N4O3/c1-18-8-11-23-22(14-18)25(26(32)30(23)17-29-12-4-5-13-29)28-27-24(31)16-33-21-10-9-19-6-2-3-7-20(19)15-21/h2-3,6-11,14-15,32H,4-5,12-13,16-17H2,1H3

InChIKey

OHOOKHNOTNNPFC-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-5-methyl-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

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	204.9
[M+Na]+	465.18972	211.3
[M-H]-	441.19322	215.7
[M+NH4]+	460.23432	216.6
[M+K]+	481.16366	205.8
[M+H-H2O]+	425.19776	194.1
[M+HCOO]-	487.19870	226.6
[M+CH3COO]-	501.21435	214.1
[M+Na-2H]-	463.17517	205.4
[M]+	442.19995	208.5
[M]-	442.20105	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.20778

204.9

[M+Na]+

465.18972

211.3

[M-H]-

441.19322

215.7

[M+NH4]+

460.23432

216.6

[M+K]+

481.16366

205.8

[M+H-H2O]+

425.19776

194.1

[M+HCOO]-

487.19870

226.6

[M+CH3COO]-

501.21435

214.1

[M+Na-2H]-

463.17517

205.4

[M]+

442.19995

208.5

[M]-

442.20105

208.5

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

Brn 6018027

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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