PubChemLite - 103255-81-8 (C26H25ClN4O4)

Structural Information

Molecular Formula

SMILES

CCC(=O)OC1CCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

InChI

InChI=1S/C26H25ClN4O4/c1-2-24(33)35-17-11-13-30(14-12-17)23(32)15-20-18-5-3-4-6-19(18)26(34)31(20)22-10-8-16-7-9-21(27)28-25(16)29-22/h3-10,17,20H,2,11-15H2,1H3

InChIKey

ZAOUYBYLDDGGSY-UHFFFAOYSA-N

Compound name

[1-[2-[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]acetyl]piperidin-4-yl] propanoate

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]+	493.16371	218.6
[M+Na]+	515.14565	224.7
[M-H]-	491.14915	223.7
[M+NH4]+	510.19025	223.8
[M+K]+	531.11959	217.5
[M+H-H2O]+	475.15369	205.8
[M+HCOO]-	537.15463	223.2
[M+CH3COO]-	551.17028	224.1
[M+Na-2H]-	513.13110	214.6
[M]+	492.15588	220.0
[M]-	492.15698	220.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.16371

218.6

[M+Na]+

515.14565

224.7

[M-H]-

491.14915

223.7

[M+NH4]+

510.19025

223.8

[M+K]+

531.11959

217.5

[M+H-H2O]+

475.15369

205.8

[M+HCOO]-

537.15463

223.2

[M+CH3COO]-

551.17028

224.1

[M+Na-2H]-

513.13110

214.6

[M]+

492.15588

220.0

[M]-

492.15698

220.0

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

103255-81-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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