CID 135483908

Nsc642650

Structural Information

Molecular Formula
C22H14Cl3N5O3
SMILES
C1=CC(=C(C=C1Cl)Cl)C(/C(=N\NC(=O)C2=CC=NC=C2)/C3=NC4=C(C=C(C=C4)Cl)NC3=O)O
InChI
InChI=1S/C22H14Cl3N5O3/c23-12-1-3-14(15(25)9-12)20(31)18(29-30-21(32)11-5-7-26-8-6-11)19-22(33)28-17-10-13(24)2-4-16(17)27-19/h1-10,20,31H,(H,28,33)(H,30,32)/b29-18-
InChIKey
YBDXCIONGCJFGM-MIXAMLLLSA-N
Compound name
N-[(Z)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-(2,4-dichlorophenyl)-2-hydroxyethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.01624 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.02352 203.2
[M+Na]+ 524.00546 211.4
[M-H]- 500.00896 207.1
[M+NH4]+ 519.05006 207.0
[M+K]+ 539.97940 203.7
[M+H-H2O]+ 484.01350 193.2
[M+HCOO]- 546.01444 205.8
[M+CH3COO]- 560.03009 209.5
[M+Na-2H]- 521.99091 205.6
[M]+ 501.01569 206.7
[M]- 501.01679 206.7
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.