CID 13655931

103255-68-1

Structural Information

Molecular Formula
C23H19ClN4O3
SMILES
C1CN(CCC1=O)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl
InChI
InChI=1S/C23H19ClN4O3/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/h1-8,18H,9-13H2
InChIKey
DYQPXVMFWXBXKU-UHFFFAOYSA-N
Compound name
2-(7-chloro-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

4
Patents

434.11456 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12184 204.9
[M+Na]+ 457.10378 213.1
[M-H]- 433.10728 210.4
[M+NH4]+ 452.14838 212.7
[M+K]+ 473.07772 205.0
[M+H-H2O]+ 417.11182 192.4
[M+HCOO]- 479.11276 211.4
[M+CH3COO]- 493.12841 212.0
[M+Na-2H]- 455.08923 203.0
[M]+ 434.11401 204.6
[M]- 434.11511 204.6
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