CID 9571907

Nsc670934

Structural Information

Molecular Formula
C14H20N4S
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)NC2CCCCC2
InChI
InChI=1S/C14H20N4S/c1-11-6-5-9-13(16-11)10-15-18-14(19)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,17,18,19)/b15-10+
InChIKey
UGJAURNWOLHLMV-XNTDXEJSSA-N
Compound name
1-cyclohexyl-3-[(E)-(6-methylpyridin-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.14087 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14815 162.7
[M+Na]+ 299.13009 165.9
[M-H]- 275.13359 168.0
[M+NH4]+ 294.17469 177.3
[M+K]+ 315.10403 161.3
[M+H-H2O]+ 259.13813 153.6
[M+HCOO]- 321.13907 180.1
[M+CH3COO]- 335.15472 205.1
[M+Na-2H]- 297.11554 165.3
[M]+ 276.14032 158.1
[M]- 276.14142 158.1
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.