CID 9578539

23765-90-4

Structural Information

Molecular Formula
C15H19N5O3S
SMILES
CC(C)(C)NC(=O)C1=[N+](C2=CC=CC=C2N=C1CS/C(=N/O)/N)[O-]
InChI
InChI=1S/C15H19N5O3S/c1-15(2,3)18-13(21)12-10(8-24-14(16)19-22)17-9-6-4-5-7-11(9)20(12)23/h4-7,22H,8H2,1-3H3,(H2,16,19)(H,18,21)
InChIKey
OGZJMVVHCXIUFS-UHFFFAOYSA-N
Compound name
[3-(tert-butylcarbamoyl)-4-oxidoquinoxalin-4-ium-2-yl]methyl N'-hydroxycarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12813 174.8
[M+Na]+ 372.11007 184.3
[M+NH4]+ 367.15467 179.9
[M+K]+ 388.08401 181.2
[M-H]- 348.11357 176.3
[M+Na-2H]- 370.09552 178.0
[M]+ 349.12030 176.6
[M]- 349.12140 176.6
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.