CID 2738541

Mls000859792

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)C
InChI
InChI=1S/C17H15N3O/c1-11-7-8-13(9-12(11)2)19-17(21)16-10-18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,19,21)
InChIKey
NKVROUVTKTWWAE-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

277.12152 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.128796 164.9
[M+Na]+ 300.110738 173.6
[M-H]- 276.114244 170.1
[M+NH4]+ 295.155343 179.0
[M+K]+ 316.084678 168.1
[M+H-H2O]+ 260.118780 155.2
[M+HCOO]- 322.119721 185.7
[M+CH3COO]- 336.135371 176.2
[M+Na-2H]- 298.096186 171.8
[M]+ 277.12097142 165.2
[M]- 277.12206858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.