CID 371864

Nsc646385

Structural Information

Molecular Formula
C18H13Cl2N3O2
SMILES
CC1=NC2=CC=CC=C2N=C1CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl2N3O2/c1-10-16(22-15-5-3-2-4-14(15)21-10)9-17(24)18(25)23-13-7-6-11(19)8-12(13)20/h2-8H,9H2,1H3,(H,23,25)
InChIKey
DQNSLYSYXXCZHL-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-3-(3-methylquinoxalin-2-yl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03848 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04576 181.6
[M+Na]+ 396.02770 191.4
[M-H]- 372.03120 186.0
[M+NH4]+ 391.07230 193.1
[M+K]+ 412.00164 184.2
[M+H-H2O]+ 356.03574 172.9
[M+HCOO]- 418.03668 191.7
[M+CH3COO]- 432.05233 191.4
[M+Na-2H]- 394.01315 185.0
[M]+ 373.03793 186.5
[M]- 373.03903 186.5
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.