CID 2874849

N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

Structural Information

Molecular Formula
C18H18ClN3O2
SMILES
CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H18ClN3O2/c1-10-6-14-15(7-11(10)2)22-18(24)16(21-14)9-17(23)20-13-5-3-4-12(19)8-13/h3-8,16,21H,9H2,1-2H3,(H,20,23)(H,22,24)
InChIKey
SSWCOFASPRFALU-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

343.10876 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.116036 180.5
[M+Na]+ 366.097978 188.5
[M-H]- 342.101484 182.6
[M+NH4]+ 361.142583 191.7
[M+K]+ 382.071918 180.5
[M+H-H2O]+ 326.106020 172.3
[M+HCOO]- 388.106961 190.9
[M+CH3COO]- 402.122611 210.5
[M+Na-2H]- 364.083426 182.1
[M]+ 343.10821142 178.6
[M]- 343.10930858 178.6
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.