PubChemLite - 103255-69-2 (C25H25ClN4O4)

Structural Information

Molecular Formula

SMILES

COC1(CCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)OC

InChI

InChI=1S/C25H25ClN4O4/c1-33-25(34-2)11-13-29(14-12-25)22(31)15-19-17-5-3-4-6-18(17)24(32)30(19)21-10-8-16-7-9-20(26)27-23(16)28-21/h3-10,19H,11-15H2,1-2H3

InChIKey

RCMICZATJZTMKF-UHFFFAOYSA-N

Compound name

2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4,4-dimethoxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one

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]+	481.16371	215.3
[M+Na]+	503.14565	223.0
[M-H]-	479.14915	220.8
[M+NH4]+	498.19025	223.2
[M+K]+	519.11959	216.3
[M+H-H2O]+	463.15369	202.2
[M+HCOO]-	525.15463	221.2
[M+CH3COO]-	539.17028	221.8
[M+Na-2H]-	501.13110	213.8
[M]+	480.15588	217.9
[M]-	480.15698	217.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.16371

215.3

[M+Na]+

503.14565

223.0

[M-H]-

479.14915

220.8

[M+NH4]+

498.19025

223.2

[M+K]+

519.11959

216.3

[M+H-H2O]+

463.15369

202.2

[M+HCOO]-

525.15463

221.2

[M+CH3COO]-

539.17028

221.8

[M+Na-2H]-

501.13110

213.8

[M]+

480.15588

217.9

[M]-

480.15698

217.9

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

103255-69-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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