CID 387371

Nsc681123

Structural Information

Molecular Formula
C23H16Cl4N4O
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)NCC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H16Cl4N4O/c24-15-7-5-13(9-17(15)26)11-28-22-21(30-19-3-1-2-4-20(19)31-22)23(32)29-12-14-6-8-16(25)18(27)10-14/h1-10H,11-12H2,(H,28,31)(H,29,32)
InChIKey
OESMNRPGZFUVDG-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-3-[(3,4-dichlorophenyl)methylamino]quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.0078 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.01508 209.7
[M+Na]+ 526.99702 218.7
[M-H]- 503.00052 213.4
[M+NH4]+ 522.04162 215.8
[M+K]+ 542.97096 210.4
[M+H-H2O]+ 487.00506 199.7
[M+HCOO]- 549.00600 209.9
[M+CH3COO]- 563.02165 215.7
[M+Na-2H]- 524.98247 210.6
[M]+ 504.00725 214.1
[M]- 504.00835 214.1
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.