CID 13655930

103255-67-0

Structural Information

Molecular Formula
C23H20ClN5O3
SMILES
C1CN(CCC1=NO)C(=O)CC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl
InChI
InChI=1S/C23H20ClN5O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)29-18(16-3-1-2-4-17(16)23(29)31)13-21(30)28-11-9-15(27-32)10-12-28/h1-8,18,32H,9-13H2
InChIKey
BAHCQOHKCQXXOP-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.12546 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.13274 207.1
[M+Na]+ 472.11468 214.5
[M-H]- 448.11818 212.7
[M+NH4]+ 467.15928 214.1
[M+K]+ 488.08862 206.5
[M+H-H2O]+ 432.12272 194.7
[M+HCOO]- 494.12366 214.8
[M+CH3COO]- 508.13931 213.8
[M+Na-2H]- 470.10013 206.4
[M]+ 449.12491 206.3
[M]- 449.12601 206.3
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

No patent data available for this compound.