CID 491333

5-chloro-3-isopropyl-6-methoxy-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CC(C)C1=NC2=C(C=CC(=C2Cl)OC)NC1=O
InChI
InChI=1S/C12H13ClN2O2/c1-6(2)10-12(16)14-7-4-5-8(17-3)9(13)11(7)15-10/h4-6H,1-3H3,(H,14,16)
InChIKey
QLFMPOUUFALMQO-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxy-3-propan-2-yl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.06656 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 152.2
[M+Na]+ 275.05578 163.7
[M-H]- 251.05928 153.4
[M+NH4]+ 270.10038 168.7
[M+K]+ 291.02972 158.4
[M+H-H2O]+ 235.06382 145.8
[M+HCOO]- 297.06476 166.4
[M+CH3COO]- 311.08041 193.2
[M+Na-2H]- 273.04123 157.2
[M]+ 252.06601 156.3
[M]- 252.06711 156.3
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.