CID 7575251

2-(benzyloxy)benzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C21H19N3OS
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C21H19N3OS/c26-21(23-19-12-5-2-6-13-19)24-22-15-18-11-7-8-14-20(18)25-16-17-9-3-1-4-10-17/h1-15H,16H2,(H2,23,24,26)/b22-15+
InChIKey
TXQHZARCRNLYJQ-PXLXIMEGSA-N
Compound name
1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.12488 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13216 185.0
[M+Na]+ 384.11410 198.2
[M+NH4]+ 379.15870 193.5
[M+K]+ 400.08804 186.6
[M-H]- 360.11760 193.8
[M+Na-2H]- 382.09955 197.0
[M]+ 361.12433 189.8
[M]- 361.12543 189.8
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.