CID 491328

2(1h)-quinoxalinone, 7-methoxy-3-(1-methylethyl)-

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC(C)C1=NC2=C(C=C(C=C2)OC)NC1=O
InChI
InChI=1S/C12H14N2O2/c1-7(2)11-12(15)14-10-6-8(16-3)4-5-9(10)13-11/h4-7H,1-3H3,(H,14,15)
InChIKey
SOJLGLUVYRVADY-UHFFFAOYSA-N
Compound name
7-methoxy-3-propan-2-yl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

218.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 147.4
[M+Na]+ 241.094748 157.3
[M-H]- 217.098254 148.5
[M+NH4]+ 236.139353 164.1
[M+K]+ 257.068688 153.6
[M+H-H2O]+ 201.102790 140.1
[M+HCOO]- 263.103731 166.3
[M+CH3COO]- 277.119381 188.3
[M+Na-2H]- 239.080196 153.5
[M]+ 218.10498142 149.1
[M]- 218.10607858 149.1
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

patents stripe