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]+ 305.17946 171.1
[M+Na]+ 327.16140 172.5
[M-H]- 303.16490 178.6
[M+NH4]+ 322.20600 186.0
[M+K]+ 343.13534 169.1
[M+H-H2O]+ 287.16944 161.8
[M+HCOO]- 349.17038 190.4
[M+CH3COO]- 363.18603 216.9
[M+Na-2H]- 325.14685 172.4
[M]+ 304.17163 167.2
[M]- 304.17273 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.