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]+ 279.12740 161.4
[M+Na]+ 301.10934 163.2
[M-H]- 277.11284 165.2
[M+NH4]+ 296.15394 174.8
[M+K]+ 317.08328 159.2
[M+H-H2O]+ 261.11738 152.6
[M+HCOO]- 323.11832 176.9
[M+CH3COO]- 337.13397 200.9
[M+Na-2H]- 299.09479 164.0
[M]+ 278.11957 155.0
[M]- 278.12067 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.