CID 3056039

73322-14-2

Structural Information

Molecular Formula
C14H20N2OS
SMILES
CC1(CC(N(C(=N1)SC)C2=CC=CC=C2)(C)O)C
InChI
InChI=1S/C14H20N2OS/c1-13(2)10-14(3,17)16(12(15-13)18-4)11-8-6-5-7-9-11/h5-9,17H,10H2,1-4H3
InChIKey
NWPHFIIXIPLNSH-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-2-methylsulfanyl-3-phenyl-5H-pyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12964 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13692 157.5
[M+Na]+ 287.11886 166.5
[M-H]- 263.12236 160.6
[M+NH4]+ 282.16346 175.9
[M+K]+ 303.09280 162.4
[M+H-H2O]+ 247.12690 150.8
[M+HCOO]- 309.12784 170.2
[M+CH3COO]- 323.14349 193.2
[M+Na-2H]- 285.10431 161.0
[M]+ 264.12909 158.6
[M]- 264.13019 158.6
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.