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]+ 437.13750 205.0
[M+Na]+ 459.11944 212.5
[M-H]- 435.12294 209.3
[M+NH4]+ 454.16404 212.2
[M+K]+ 475.09338 204.3
[M+H-H2O]+ 419.12748 193.0
[M+HCOO]- 481.12842 210.0
[M+CH3COO]- 495.14407 211.5
[M+Na-2H]- 457.10489 202.9
[M]+ 436.12967 203.8
[M]- 436.13077 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