CID 135434847

Salicylaldehyde, 4-phenyl-3-thiosemicarbazone

Structural Information

Molecular Formula
C14H13N3OS
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C14H13N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/b15-10+
InChIKey
BKJAPBJJTOJXEZ-XNTDXEJSSA-N
Compound name
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

17
Patents

271.07794 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 160.3
[M+Na]+ 294.06716 171.4
[M+NH4]+ 289.11176 168.4
[M+K]+ 310.04110 162.3
[M-H]- 270.07066 166.0
[M+Na-2H]- 292.05261 169.2
[M]+ 271.07739 163.8
[M]- 271.07849 163.8
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

patents stripe