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]+ 205.13355 146.9
[M+Na]+ 227.11549 154.2
[M-H]- 203.11899 146.8
[M+NH4]+ 222.16009 163.8
[M+K]+ 243.08943 149.8
[M+H-H2O]+ 187.12353 139.4
[M+HCOO]- 249.12447 163.7
[M+CH3COO]- 263.14012 184.7
[M+Na-2H]- 225.10094 152.9
[M]+ 204.12572 144.5
[M]- 204.12682 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.