CID 2873401

N-butyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCCCNC(=O)CC1C(=O)NC2=CC=CC=C2N1
InChI
InChI=1S/C14H19N3O2/c1-2-3-8-15-13(18)9-12-14(19)17-11-7-5-4-6-10(11)16-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,15,18)(H,17,19)
InChIKey
AJEYFQDENHESEJ-UHFFFAOYSA-N
Compound name
N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

261.14774 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 161.7
[M+Na]+ 284.13696 166.8
[M-H]- 260.14046 159.9
[M+NH4]+ 279.18156 175.0
[M+K]+ 300.11090 161.5
[M+H-H2O]+ 244.14500 153.8
[M+HCOO]- 306.14594 176.8
[M+CH3COO]- 320.16159 194.9
[M+Na-2H]- 282.12241 165.6
[M]+ 261.14719 157.5
[M]- 261.14829 157.5
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.