CID 3034496

Usaf k-1562

Structural Information

Molecular Formula
C19H32N2S
SMILES
CC1=CC(NC(=S)N1C2CCCCC2C3CCCCC3)(C)C
InChI
InChI=1S/C19H32N2S/c1-14-13-19(2,3)20-18(22)21(14)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h13,15-17H,4-12H2,1-3H3,(H,20,22)
InChIKey
DSKIUKVVIORLBL-UHFFFAOYSA-N
Compound name
3-(2-cyclohexylcyclohexyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.2286 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23588 179.8
[M+Na]+ 343.21782 182.2
[M-H]- 319.22132 183.1
[M+NH4]+ 338.26242 192.9
[M+K]+ 359.19176 176.1
[M+H-H2O]+ 303.22586 170.9
[M+HCOO]- 365.22680 183.5
[M+CH3COO]- 379.24245 186.5
[M+Na-2H]- 341.20327 175.0
[M]+ 320.22805 169.4
[M]- 320.22915 169.4
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.