CID 9625912

4-chlorobenzaldehyde n-(3-methylphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C15H14ClN3S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClN3S/c1-11-3-2-4-14(9-11)18-15(20)19-17-10-12-5-7-13(16)8-6-12/h2-10H,1H3,(H2,18,19,20)/b17-10+
InChIKey
NUCVGMVSAMXWFX-LICLKQGHSA-N
Compound name
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0597 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06698 169.1
[M+Na]+ 326.04892 182.2
[M+NH4]+ 321.09352 178.2
[M+K]+ 342.02286 171.2
[M-H]- 302.05242 175.9
[M+Na-2H]- 324.03437 178.5
[M]+ 303.05915 173.6
[M]- 303.06025 173.6
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.