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 147.2
[M+Na]+ 227.11549 160.1
[M+NH4]+ 222.16009 155.3
[M+K]+ 243.08943 152.6
[M-H]- 203.11899 148.4
[M+Na-2H]- 225.10094 152.3
[M]+ 204.12572 149.3
[M]- 204.12682 149.3
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.