CID 177640249

Taz sulfinic acid

Structural Information

Molecular Formula
C10H12N4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/N=C(/N)\SO
InChI
InChI=1S/C10H12N4O2S/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)17-16/h2-6,16H,1H3,(H2,11,14)(H,13,15)/b12-6+
InChIKey
UQLMWIGLOFNQNI-WUXMJOGZSA-N
Compound name
hydroxy N'-[(E)-(4-acetamidophenyl)methylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0681 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07538 154.7
[M+Na]+ 275.05732 159.9
[M-H]- 251.06082 159.0
[M+NH4]+ 270.10192 171.2
[M+K]+ 291.03126 157.0
[M+H-H2O]+ 235.06536 146.6
[M+HCOO]- 297.06630 177.1
[M+CH3COO]- 311.08195 202.0
[M+Na-2H]- 273.04277 157.4
[M]+ 252.06755 154.2
[M]- 252.06865 154.2
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.