PubChemLite - 510712-16-0 (C24H28N2O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCOC)C3=CC=NC=C3)/O)OC(C)C

InChI

InChI=1S/C24H28N2O5/c1-15(2)31-19-7-6-18(14-16(19)3)22(27)20-21(17-8-10-25-11-9-17)26(12-5-13-30-4)24(29)23(20)28/h6-11,14-15,21,27H,5,12-13H2,1-4H3/b22-20+

InChIKey

MPGILHYQGFZYOS-LSDHQDQOSA-N

Compound name

(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-methoxypropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione

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]+	425.20711	202.7
[M+Na]+	447.18905	208.4
[M-H]-	423.19255	208.6
[M+NH4]+	442.23365	210.9
[M+K]+	463.16299	203.8
[M+H-H2O]+	407.19709	192.9
[M+HCOO]-	469.19803	218.1
[M+CH3COO]-	483.21368	227.7
[M+Na-2H]-	445.17450	196.8
[M]+	424.19928	205.7
[M]-	424.20038	205.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.20711

202.7

[M+Na]+

447.18905

208.4

[M-H]-

423.19255

208.6

[M+NH4]+

442.23365

210.9

[M+K]+

463.16299

203.8

[M+H-H2O]+

407.19709

192.9

[M+HCOO]-

469.19803

218.1

[M+CH3COO]-

483.21368

227.7

[M+Na-2H]-

445.17450

196.8

[M]+

424.19928

205.7

[M]-

424.20038

205.7

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

510712-16-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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