CID 162345307

Ns00133145

Structural Information

Molecular Formula
C7H9N3O3S
SMILES
C1=CC(=C(C=C1N)O)S(=O)(=O)N=CN
InChI
InChI=1S/C7H9N3O3S/c8-4-10-14(12,13)7-2-1-5(9)3-6(7)11/h1-4,11H,9H2,(H2,8,10)
InChIKey
MDPZENTUZDLKRF-UHFFFAOYSA-N
Compound name
N'-(4-amino-2-hydroxyphenyl)sulfonylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03647 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.043746 141.7
[M+Na]+ 238.025688 150.0
[M-H]- 214.029194 145.0
[M+NH4]+ 233.070293 159.3
[M+K]+ 253.999628 146.4
[M+H-H2O]+ 198.033730 135.3
[M+HCOO]- 260.034671 162.6
[M+CH3COO]- 274.050321 188.8
[M+Na-2H]- 236.011136 146.3
[M]+ 215.03592142 140.8
[M]- 215.03701858 140.8
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.