CID 135417416

71795-48-7

Structural Information

Molecular Formula
C13H15N4O2S
SMILES
CC\1=CNC(=NS(=O)(=O)C2=CC=C(C=C2)N)/[N+]1=C/C=C
InChI
InChI=1S/C13H15N4O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h3-9H,1,14H2,2H3,(H,15,16)/q+1/b17-8+
InChIKey
BFNCXAHROISPMQ-CAOOACKPSA-N
Compound name
4-amino-N-[(3E)-4-methyl-3-prop-2-enylidene-1H-imidazol-3-ium-2-ylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09158 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09886 165.6
[M+Na]+ 314.08080 174.2
[M-H]- 290.08430 170.2
[M+NH4]+ 309.12540 179.8
[M+K]+ 330.05474 162.2
[M+H-H2O]+ 274.08884 160.7
[M+HCOO]- 336.08978 182.7
[M+CH3COO]- 350.10543 192.6
[M+Na-2H]- 312.06625 169.5
[M]+ 291.09103 162.7
[M]- 291.09213 162.7
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.