PubChemLite - 103255-77-2 (C25H22Cl2N4O4)

Structural Information

Molecular Formula

SMILES

C1CN(CCC12OCCO2)C(=O)CC3C4=C(C=CC(=C4)Cl)C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl

InChI

InChI=1S/C25H22Cl2N4O4/c26-16-3-4-17-18(13-16)19(14-22(32)30-9-7-25(8-10-30)34-11-12-35-25)31(24(17)33)21-6-2-15-1-5-20(27)28-23(15)29-21/h1-6,13,19H,7-12,14H2

InChIKey

DGDMDLBOFACDNG-UHFFFAOYSA-N

Compound name

5-chloro-2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-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]+	513.10908	219.6
[M+Na]+	535.09102	227.9
[M-H]-	511.09452	227.8
[M+NH4]+	530.13562	226.1
[M+K]+	551.06496	222.7
[M+H-H2O]+	495.09906	207.4
[M+HCOO]-	557.10000	217.9
[M+CH3COO]-	571.11565	225.7
[M+Na-2H]-	533.07647	214.2
[M]+	512.10125	221.2
[M]-	512.10235	221.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.10908

219.6

[M+Na]+

535.09102

227.9

[M-H]-

511.09452

227.8

[M+NH4]+

530.13562

226.1

[M+K]+

551.06496

222.7

[M+H-H2O]+

495.09906

207.4

[M+HCOO]-

557.10000

217.9

[M+CH3COO]-

571.11565

225.7

[M+Na-2H]-

533.07647

214.2

[M]+

512.10125

221.2

[M]-

512.10235

221.2

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

103255-77-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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