CID 5391885

1-(3-hydroxybenzylidene)-4-phenyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C14H13N3OS
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C\C2=CC(=CC=C2)O
InChI
InChI=1S/C14H13N3OS/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h1-10,18H,(H2,16,17,19)/b15-10-
InChIKey
NCHUSBPRQKECMH-GDNBJRDFSA-N
Compound name
1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 159.0
[M+Na]+ 294.06716 164.7
[M-H]- 270.07066 165.5
[M+NH4]+ 289.11176 174.6
[M+K]+ 310.04110 159.2
[M+H-H2O]+ 254.07520 150.8
[M+HCOO]- 316.07614 180.7
[M+CH3COO]- 330.09179 201.1
[M+Na-2H]- 292.05261 164.0
[M]+ 271.07739 157.7
[M]- 271.07849 157.7
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.