CID 45054993

765909-83-9

Structural Information

Molecular Formula
C26H20ClN5O3
SMILES
CC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4)Cl
InChI
InChI=1S/C26H20ClN5O3/c1-16-11-12-17-14-18(23(27)30-22(17)13-16)15-28-32-26(35)25(34)31-21-10-6-5-9-20(21)24(33)29-19-7-3-2-4-8-19/h2-15H,1H3,(H,29,33)(H,31,34)(H,32,35)/b28-15+
InChIKey
QVXXVTRTAXPVPN-RWPZCVJISA-N
Compound name
N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.12546 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.13274 214.9
[M+Na]+ 508.11468 220.0
[M-H]- 484.11818 224.9
[M+NH4]+ 503.15928 221.4
[M+K]+ 524.08862 213.9
[M+H-H2O]+ 468.12272 203.5
[M+HCOO]- 530.12366 234.0
[M+CH3COO]- 544.13931 247.9
[M+Na-2H]- 506.10013 218.8
[M]+ 485.12491 217.4
[M]- 485.12601 217.4
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.