CID 11820940

Benzoic acid (amino-methylsulfanyl-methylene)-hydrazide

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CS/C(=N/NC(=O)C1=CC=CC=C1)/N
InChI
InChI=1S/C9H11N3OS/c1-14-9(10)12-11-8(13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,12)(H,11,13)
InChIKey
PSCIILGVIWLBET-UHFFFAOYSA-N
Compound name
methyl N'-benzamidocarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.06229 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 144.8
[M+Na]+ 232.05151 150.3
[M-H]- 208.05501 149.1
[M+NH4]+ 227.09611 163.3
[M+K]+ 248.02545 147.7
[M+H-H2O]+ 192.05955 137.4
[M+HCOO]- 254.06049 166.2
[M+CH3COO]- 268.07614 191.8
[M+Na-2H]- 230.03696 148.0
[M]+ 209.06174 143.8
[M]- 209.06284 143.8
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

No patent data available for this compound.