PubChemLite - 103255-71-6 (C28H29ClN4O4)

Structural Information

Molecular Formula

SMILES

CC1(COC2(CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl)OC1)C

InChI

InChI=1S/C28H29ClN4O4/c1-27(2)16-36-28(37-17-27)11-13-32(14-12-28)24(34)15-21-19-5-3-4-6-20(19)26(35)33(21)23-10-8-18-7-9-22(29)30-25(18)31-23/h3-10,21H,11-17H2,1-2H3

InChIKey

GUKOVGILPXOWMQ-UHFFFAOYSA-N

Compound name

2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-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]+	521.19502	226.7
[M+Na]+	543.17696	233.7
[M-H]-	519.18046	234.5
[M+NH4]+	538.22156	232.1
[M+K]+	559.15090	228.8
[M+H-H2O]+	503.18500	211.7
[M+HCOO]-	565.18594	226.5
[M+CH3COO]-	579.20159	231.7
[M+Na-2H]-	541.16241	223.8
[M]+	520.18719	225.7
[M]-	520.18829	225.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.19502

226.7

[M+Na]+

543.17696

233.7

[M-H]-

519.18046

234.5

[M+NH4]+

538.22156

232.1

[M+K]+

559.15090

228.8

[M+H-H2O]+

503.18500

211.7

[M+HCOO]-

565.18594

226.5

[M+CH3COO]-

579.20159

231.7

[M+Na-2H]-

541.16241

223.8

[M]+

520.18719

225.7

[M]-

520.18829

225.7

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

103255-71-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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