CID 5480733

P-acetylaminoacetophenone thiosemicarbazone

Structural Information

Molecular Formula
C11H14N4OS
SMILES
C/C(=N\NC(=S)N)/C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C11H14N4OS/c1-7(14-15-11(12)17)9-3-5-10(6-4-9)13-8(2)16/h3-6H,1-2H3,(H,13,16)(H3,12,15,17)/b14-7+
InChIKey
IDNGSDKUQOSYRL-VGOFMYFVSA-N
Compound name
N-[4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.08884 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 157.3
[M+Na]+ 273.07806 164.1
[M+NH4]+ 268.12266 163.7
[M+K]+ 289.05200 158.1
[M-H]- 249.08156 160.0
[M+Na-2H]- 271.06351 161.6
[M]+ 250.08829 158.9
[M]- 250.08939 158.9
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.