CID 6865222

Benzaldehyde n-(4-methylphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C15H15N3S
SMILES
CC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C15H15N3S/c1-12-7-9-14(10-8-12)17-15(19)18-16-11-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18,19)/b16-11+
InChIKey
UGEVMHUMNGFAAO-LFIBNONCSA-N
Compound name
1-[(E)-benzylideneamino]-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.09866 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10594 161.6
[M+Na]+ 292.08788 173.5
[M+NH4]+ 287.13248 170.5
[M+K]+ 308.06182 163.3
[M-H]- 268.09138 168.3
[M+Na-2H]- 290.07333 171.3
[M]+ 269.09811 165.6
[M]- 269.09921 165.6
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.