CID 9574718

N-[4-[(z)-(carbamothioylhydrazono)methyl]phenyl]-n-methyl-acetamide

Structural Information

Molecular Formula
C11H14N4OS
SMILES
CC(=O)N(C)C1=CC=C(C=C1)/C=N\NC(=S)N
InChI
InChI=1S/C11H14N4OS/c1-8(16)15(2)10-5-3-9(4-6-10)7-13-14-11(12)17/h3-7H,1-2H3,(H3,12,14,17)/b13-7-
InChIKey
YZUZBNNROWTIMZ-QPEQYQDCSA-N
Compound name
N-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.08884 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 157.2
[M+Na]+ 273.07806 162.1
[M-H]- 249.08156 162.8
[M+NH4]+ 268.12266 174.4
[M+K]+ 289.05200 159.9
[M+H-H2O]+ 233.08610 148.9
[M+HCOO]- 295.08704 179.4
[M+CH3COO]- 309.10269 206.7
[M+Na-2H]- 271.06351 158.5
[M]+ 250.08829 157.0
[M]- 250.08939 157.0
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.