CID 5386157

N1-phenyl-2-benzylidenehydrazine-1-carbothioamide

Structural Information

Molecular Formula
C14H13N3S
SMILES
C1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H13N3S/c18-14(16-13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H,(H2,16,17,18)/b15-11+
InChIKey
AXBWEHNBWRHZBB-RVDMUPIBSA-N
Compound name
1-[(E)-benzylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.08302 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.090296 155.5
[M+Na]+ 278.072238 161.0
[M-H]- 254.075744 163.1
[M+NH4]+ 273.116843 172.3
[M+K]+ 294.046178 155.8
[M+H-H2O]+ 238.080280 147.1
[M+HCOO]- 300.081221 178.5
[M+CH3COO]- 314.096871 200.3
[M+Na-2H]- 276.057686 161.5
[M]+ 255.08247142 154.3
[M]- 255.08356858 154.3
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.