CID 184838

Bamaquimast

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CCCN1C2=CC=CC=C2N=C(C1=O)CCCOC(=O)NC
InChI
InChI=1S/C16H21N3O3/c1-3-10-19-14-9-5-4-7-12(14)18-13(15(19)20)8-6-11-22-16(21)17-2/h4-5,7,9H,3,6,8,10-11H2,1-2H3,(H,17,21)
InChIKey
HNQSZPBGDAJIJO-UHFFFAOYSA-N
Compound name
3-(3-oxo-4-propylquinoxalin-2-yl)propyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

303.1583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 171.5
[M+Na]+ 326.14752 179.3
[M-H]- 302.15102 173.2
[M+NH4]+ 321.19212 185.0
[M+K]+ 342.12146 175.6
[M+H-H2O]+ 286.15556 162.5
[M+HCOO]- 348.15650 191.9
[M+CH3COO]- 362.17215 207.8
[M+Na-2H]- 324.13297 176.4
[M]+ 303.15775 176.2
[M]- 303.15885 176.2
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

patents stripe