CID 6264318

1-(4-acetamidobenzylidene)-4-phenyl-3-thiosemicarrbazide

Structural Information

Molecular Formula
C16H16N4OS
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N\NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C16H16N4OS/c1-12(21)18-15-9-7-13(8-10-15)11-17-20-16(22)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H2,19,20,22)/b17-11-
InChIKey
NKEZWLLPILNVMR-BOPFTXTBSA-N
Compound name
N-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11178 172.1
[M+Na]+ 335.09372 181.7
[M+NH4]+ 330.13832 179.3
[M+K]+ 351.06766 173.0
[M-H]- 311.09722 178.0
[M+Na-2H]- 333.07917 180.4
[M]+ 312.10395 175.2
[M]- 312.10505 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.