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]+ 262.155016 161.7
[M+Na]+ 284.136958 166.8
[M-H]- 260.140464 159.9
[M+NH4]+ 279.181563 175.0
[M+K]+ 300.110898 161.5
[M+H-H2O]+ 244.145000 153.8
[M+HCOO]- 306.145941 176.8
[M+CH3COO]- 320.161591 194.9
[M+Na-2H]- 282.122406 165.6
[M]+ 261.14719142 157.5
[M]- 261.14828858 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.