CID 179341

Ataquimast

Structural Information

Molecular Formula
C11H13N3O
SMILES
CCN1C2=CC=CC=C2N=C(C1=O)NC
InChI
InChI=1S/C11H13N3O/c1-3-14-9-7-5-4-6-8(9)13-10(12-2)11(14)15/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
ZQAGGAUAOFYNIB-UHFFFAOYSA-N
Compound name
1-ethyl-3-(methylamino)quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

203.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.3
[M+Na]+ 226.095088 153.6
[M-H]- 202.098594 145.8
[M+NH4]+ 221.139693 161.1
[M+K]+ 242.069028 149.8
[M+H-H2O]+ 186.103130 135.5
[M+HCOO]- 248.104071 165.8
[M+CH3COO]- 262.119721 189.7
[M+Na-2H]- 224.080536 152.0
[M]+ 203.10532142 144.9
[M]- 203.10641858 144.9
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.