CID 5363478

[4-[(z)-(carbamothioylhydrazono)methyl]phenyl] acetate

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
CC(=O)OC1=CC=C(C=C1)/C=N\NC(=S)N
InChI
InChI=1S/C10H11N3O2S/c1-7(14)15-9-4-2-8(3-5-9)6-12-13-10(11)16/h2-6H,1H3,(H3,11,13,16)/b12-6-
InChIKey
HXHAFRUWSWYKSH-SDQBBNPISA-N
Compound name
[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.0572 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 151.6
[M+Na]+ 260.04642 157.6
[M-H]- 236.04992 156.1
[M+NH4]+ 255.09102 169.1
[M+K]+ 276.02036 154.7
[M+H-H2O]+ 220.05446 144.1
[M+HCOO]- 282.05540 173.0
[M+CH3COO]- 296.07105 197.3
[M+Na-2H]- 258.03187 153.7
[M]+ 237.05665 152.0
[M]- 237.05775 152.0
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.