CID 2879250

472982-66-4

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=CC=CC=C3SC
InChI
InChI=1S/C19H21N3O2S/c1-11-8-14-15(9-12(11)2)22-19(24)16(20-14)10-18(23)21-13-6-4-5-7-17(13)25-3/h4-9,16,20H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKey
QRDJYESYVGDAQR-UHFFFAOYSA-N
Compound name
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2-methylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.13544 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 183.2
[M+Na]+ 378.12466 190.0
[M-H]- 354.12816 185.1
[M+NH4]+ 373.16926 193.6
[M+K]+ 394.09860 182.3
[M+H-H2O]+ 338.13270 174.9
[M+HCOO]- 400.13364 192.8
[M+CH3COO]- 414.14929 213.4
[M+Na-2H]- 376.11011 183.0
[M]+ 355.13489 181.8
[M]- 355.13599 181.8
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.