CID 62329626

1461714-27-1

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CNCC1N2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C12H15N3O/c16-12-8-15(9-5-6-13-7-9)11-4-2-1-3-10(11)14-12/h1-4,9,13H,5-8H2,(H,14,16)
InChIKey
BOOUYUCGXHPCCS-UHFFFAOYSA-N
Compound name
4-pyrrolidin-3-yl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 150.4
[M+Na]+ 240.110718 156.4
[M-H]- 216.114224 150.4
[M+NH4]+ 235.155323 165.8
[M+K]+ 256.084658 150.9
[M+H-H2O]+ 200.118760 141.7
[M+HCOO]- 262.119701 163.6
[M+CH3COO]- 276.135351 160.1
[M+Na-2H]- 238.096166 153.1
[M]+ 217.12095142 142.0
[M]- 217.12204858 142.0
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.