CID 9574301

Nsc646372

Structural Information

Molecular Formula
C23H16Cl2N6O3
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)C/C(=N\NC(=O)C3=CC=NC=C3)/C(=O)NC4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C23H16Cl2N6O3/c24-14-9-15(25)11-16(10-14)27-23(34)20(30-31-21(32)13-5-7-26-8-6-13)12-19-22(33)29-18-4-2-1-3-17(18)28-19/h1-11H,12H2,(H,27,34)(H,29,33)(H,31,32)/b30-20+
InChIKey
QUVWDVJCYZGEHK-TWKHWXDSSA-N
Compound name
N-[(E)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

494.0661 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.07338 208.1
[M+Na]+ 517.05532 215.0
[M-H]- 493.05882 214.0
[M+NH4]+ 512.09992 211.8
[M+K]+ 533.02926 207.3
[M+H-H2O]+ 477.06336 196.7
[M+HCOO]- 539.06430 218.1
[M+CH3COO]- 553.07995 214.6
[M+Na-2H]- 515.04077 212.7
[M]+ 494.06555 211.2
[M]- 494.06665 211.2
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.