CID 13655947

103255-85-2

Structural Information

Molecular Formula
C24H21ClN4O3
SMILES
CC1=CC(=NC2=C1C=CC(=N2)N3C(C4=CC=CC=C4C3=O)CC(=O)N5CCC(=O)CC5)Cl
InChI
InChI=1S/C24H21ClN4O3/c1-14-12-20(25)26-23-16(14)6-7-21(27-23)29-19(17-4-2-3-5-18(17)24(29)32)13-22(31)28-10-8-15(30)9-11-28/h2-7,12,19H,8-11,13H2,1H3
InChIKey
KQAMZLWNPVWZLY-UHFFFAOYSA-N
Compound name
2-(7-chloro-5-methyl-1,8-naphthyridin-2-yl)-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

448.13022 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.13750 210.3
[M+Na]+ 471.11944 218.8
[M-H]- 447.12294 215.9
[M+NH4]+ 466.16404 217.7
[M+K]+ 487.09338 210.5
[M+H-H2O]+ 431.12748 197.8
[M+HCOO]- 493.12842 216.4
[M+CH3COO]- 507.14407 217.2
[M+Na-2H]- 469.10489 207.1
[M]+ 448.12967 210.7
[M]- 448.13077 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe