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 160.4
[M+Na]+ 292.08788 166.3
[M-H]- 268.09138 168.2
[M+NH4]+ 287.13248 176.9
[M+K]+ 308.06182 160.9
[M+H-H2O]+ 252.09592 152.0
[M+HCOO]- 314.09686 183.1
[M+CH3COO]- 328.11251 204.4
[M+Na-2H]- 290.07333 165.1
[M]+ 269.09811 159.9
[M]- 269.09921 159.9
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.