CID 11820941

Benzoic acid (allylsulfanyl-amino-methylene)-hydrazide

Structural Information

Molecular Formula
C11H13N3OS
SMILES
C=CCS/C(=N/NC(=O)C1=CC=CC=C1)/N
InChI
InChI=1S/C11H13N3OS/c1-2-8-16-11(12)14-13-10(15)9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,12,14)(H,13,15)
InChIKey
SZUWRFMQSBVRNS-UHFFFAOYSA-N
Compound name
prop-2-enyl N'-benzamidocarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.07793 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08521 152.8
[M+Na]+ 258.06715 157.7
[M-H]- 234.07065 156.7
[M+NH4]+ 253.11175 170.2
[M+K]+ 274.04109 154.0
[M+H-H2O]+ 218.07519 145.1
[M+HCOO]- 280.07613 173.7
[M+CH3COO]- 294.09178 197.0
[M+Na-2H]- 256.05260 155.0
[M]+ 235.07738 151.8
[M]- 235.07848 151.8
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.