CID 3056888

73855-48-8

Structural Information

Molecular Formula
C12H16N2O
SMILES
CCCCN1CC(=O)NC2=CC=CC=C21
InChI
InChI=1S/C12H16N2O/c1-2-3-8-14-9-12(15)13-10-6-4-5-7-11(10)14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKey
USXZKHNVHVJGJZ-UHFFFAOYSA-N
Compound name
4-butyl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.9
[M+Na]+ 227.115488 154.2
[M-H]- 203.118994 146.8
[M+NH4]+ 222.160093 163.8
[M+K]+ 243.089428 149.8
[M+H-H2O]+ 187.123530 139.4
[M+HCOO]- 249.124471 163.7
[M+CH3COO]- 263.140121 184.7
[M+Na-2H]- 225.100936 152.9
[M]+ 204.12572142 144.5
[M]- 204.12681858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.