CID 9574722

N-[4-[(e)-(carbamothioylhydrazono)methyl]phenyl]benzamide

Structural Information

Molecular Formula
C15H14N4OS
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)/C=N/NC(=S)N
InChI
InChI=1S/C15H14N4OS/c16-15(21)19-17-10-11-6-8-13(9-7-11)18-14(20)12-4-2-1-3-5-12/h1-10H,(H,18,20)(H3,16,19,21)/b17-10+
InChIKey
CDRACAOKSKZXRX-LICLKQGHSA-N
Compound name
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08884 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09612 167.0
[M+Na]+ 321.07806 171.6
[M-H]- 297.08156 174.0
[M+NH4]+ 316.12266 181.2
[M+K]+ 337.05200 166.5
[M+H-H2O]+ 281.08610 158.0
[M+HCOO]- 343.08704 189.2
[M+CH3COO]- 357.10269 211.2
[M+Na-2H]- 319.06351 170.3
[M]+ 298.08829 164.8
[M]- 298.08939 164.8
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.