CID 62374863

1443979-71-2

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC1=NC2=CC=CC=C2N(C1=O)CCCNC
InChI
InChI=1S/C13H17N3O/c1-10-13(17)16(9-5-8-14-2)12-7-4-3-6-11(12)15-10/h3-4,6-7,14H,5,8-9H2,1-2H3
InChIKey
JWSJCOVNTDVIKY-UHFFFAOYSA-N
Compound name
3-methyl-1-[3-(methylamino)propyl]quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 152.5
[M+Na]+ 254.12638 161.9
[M-H]- 230.12988 154.6
[M+NH4]+ 249.17098 169.2
[M+K]+ 270.10032 157.6
[M+H-H2O]+ 214.13442 144.3
[M+HCOO]- 276.13536 174.3
[M+CH3COO]- 290.15101 195.7
[M+Na-2H]- 252.11183 160.1
[M]+ 231.13661 154.8
[M]- 231.13771 154.8
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.