CID 10026065

103255-83-0

Structural Information

Molecular Formula
C23H21ClN4O3
SMILES
C1CN(CCC1O)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl
InChI
InChI=1S/C23H21ClN4O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)28-18(16-3-1-2-4-17(16)23(28)31)13-21(30)27-11-9-15(29)10-12-27/h1-8,15,18,29H,9-13H2
InChIKey
MENRZGQHZLNTSV-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

436.13022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.137496 205.0
[M+Na]+ 459.119438 212.5
[M-H]- 435.122944 209.3
[M+NH4]+ 454.164043 212.2
[M+K]+ 475.093378 204.3
[M+H-H2O]+ 419.127480 193.0
[M+HCOO]- 481.128421 210.0
[M+CH3COO]- 495.144071 211.5
[M+Na-2H]- 457.104886 202.9
[M]+ 436.12967142 203.8
[M]- 436.13076858 203.8
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