CID 491334

5-amino-7-tert-butyl-3-isopropyl-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC(C)C1=NC2=C(C=C(C=C2NC1=O)C(C)(C)C)N
InChI
InChI=1S/C15H21N3O/c1-8(2)12-14(19)17-11-7-9(15(3,4)5)6-10(16)13(11)18-12/h6-8H,16H2,1-5H3,(H,17,19)
InChIKey
AVMRXENWSFWSPG-UHFFFAOYSA-N
Compound name
5-amino-7-tert-butyl-3-propan-2-yl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 164.2
[M+Na]+ 282.15768 173.4
[M-H]- 258.16118 165.1
[M+NH4]+ 277.20228 179.2
[M+K]+ 298.13162 168.7
[M+H-H2O]+ 242.16572 157.3
[M+HCOO]- 304.16666 180.6
[M+CH3COO]- 318.18231 200.6
[M+Na-2H]- 280.14313 168.0
[M]+ 259.16791 163.6
[M]- 259.16901 163.6
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.