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]+ 256.09030 155.5
[M+Na]+ 278.07224 161.0
[M-H]- 254.07574 163.1
[M+NH4]+ 273.11684 172.3
[M+K]+ 294.04618 155.8
[M+H-H2O]+ 238.08028 147.1
[M+HCOO]- 300.08122 178.5
[M+CH3COO]- 314.09687 200.3
[M+Na-2H]- 276.05769 161.5
[M]+ 255.08247 154.3
[M]- 255.08357 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.