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]+ 450.132736 207.1
[M+Na]+ 472.114678 214.5
[M-H]- 448.118184 212.7
[M+NH4]+ 467.159283 214.1
[M+K]+ 488.088618 206.5
[M+H-H2O]+ 432.122720 194.7
[M+HCOO]- 494.123661 214.8
[M+CH3COO]- 508.139311 213.8
[M+Na-2H]- 470.100126 206.4
[M]+ 449.12491142 206.3
[M]- 449.12600858 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.