CID 738546

26036-36-2

Structural Information

Molecular Formula
C13H18N4OS
SMILES
C1CCC(CC1)NC(=S)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H18N4OS/c18-12(10-6-8-14-9-7-10)16-17-13(19)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,16,18)(H2,15,17,19)
InChIKey
BZJBTKCHRRSRRW-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(pyridine-4-carbonylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

278.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.127396 161.4
[M+Na]+ 301.109338 163.2
[M-H]- 277.112844 165.2
[M+NH4]+ 296.153943 174.8
[M+K]+ 317.083278 159.2
[M+H-H2O]+ 261.117380 152.6
[M+HCOO]- 323.118321 176.9
[M+CH3COO]- 337.133971 200.9
[M+Na-2H]- 299.094786 164.0
[M]+ 278.11957142 155.0
[M]- 278.12066858 155.0
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.