CID 5366181

4-cyclohexyl-4-methyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide

Structural Information

Molecular Formula
C15H22N4S
SMILES
C/C(=N\NC(=S)N(C)C1CCCCC1)/C2=CC=CC=N2
InChI
InChI=1S/C15H22N4S/c1-12(14-10-6-7-11-16-14)17-18-15(20)19(2)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,18,20)/b17-12+
InChIKey
ZTTYYRXZMKKBMI-SFQUDFHCSA-N
Compound name
1-cyclohexyl-1-methyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

290.15652 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16380 168.0
[M+Na]+ 313.14574 169.6
[M-H]- 289.14924 174.3
[M+NH4]+ 308.19034 182.3
[M+K]+ 329.11968 166.9
[M+H-H2O]+ 273.15378 158.5
[M+HCOO]- 335.15472 184.6
[M+CH3COO]- 349.17037 211.1
[M+Na-2H]- 311.13119 169.1
[M]+ 290.15597 164.1
[M]- 290.15707 164.1
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.