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]+ 344.11604 180.5
[M+Na]+ 366.09798 188.5
[M-H]- 342.10148 182.6
[M+NH4]+ 361.14258 191.7
[M+K]+ 382.07192 180.5
[M+H-H2O]+ 326.10602 172.3
[M+HCOO]- 388.10696 190.9
[M+CH3COO]- 402.12261 210.5
[M+Na-2H]- 364.08343 182.1
[M]+ 343.10821 178.6
[M]- 343.10931 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.