CID 5847515

4-cyclohexyl-1-(4-dimethylaminobenzylidene)-3-thiosemicarbazide

Structural Information

Molecular Formula
C16H24N4S
SMILES
CN(C)C1=CC=C(C=C1)/C=N\NC(=S)NC2CCCCC2
InChI
InChI=1S/C16H24N4S/c1-20(2)15-10-8-13(9-11-15)12-17-19-16(21)18-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,18,19,21)/b17-12-
InChIKey
LGFYWRIZRSPAIJ-ATVHPVEESA-N
Compound name
1-cyclohexyl-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.17218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.179456 171.1
[M+Na]+ 327.161398 172.5
[M-H]- 303.164904 178.6
[M+NH4]+ 322.206003 186.0
[M+K]+ 343.135338 169.1
[M+H-H2O]+ 287.169440 161.8
[M+HCOO]- 349.170381 190.4
[M+CH3COO]- 363.186031 216.9
[M+Na-2H]- 325.146846 172.4
[M]+ 304.17163142 167.2
[M]- 304.17272858 167.2
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.