CID 215098

34928-04-6

Structural Information

Molecular Formula
C15H22N2OS
SMILES
CC1(CC(N(C(=N1)SCC2=CC=CC=C2)C)(C)O)C
InChI
InChI=1S/C15H22N2OS/c1-14(2)11-15(3,18)17(4)13(16-14)19-10-12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3
InChIKey
NCOHSQVHAFZMOG-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-3,4,6,6-tetramethyl-5H-pyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15258 161.6
[M+Na]+ 301.13452 170.3
[M-H]- 277.13802 164.6
[M+NH4]+ 296.17912 179.5
[M+K]+ 317.10846 165.9
[M+H-H2O]+ 261.14256 154.8
[M+HCOO]- 323.14350 174.0
[M+CH3COO]- 337.15915 196.2
[M+Na-2H]- 299.11997 164.7
[M]+ 278.14475 163.1
[M]- 278.14585 163.1
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.