CID 3056043

73322-16-4

Structural Information

Molecular Formula
C15H22N2O2S
SMILES
CC1(CC(N(C(=N1)SC)C2=CC=C(C=C2)OC)(C)O)C
InChI
InChI=1S/C15H22N2O2S/c1-14(2)10-15(3,18)17(13(16-14)20-5)11-6-8-12(19-4)9-7-11/h6-9,18H,10H2,1-5H3
InChIKey
DUJFCEZLCUJFJW-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-4,6,6-trimethyl-2-methylsulfanyl-5H-pyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1402 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.147476 164.4
[M+Na]+ 317.129418 173.6
[M-H]- 293.132924 167.6
[M+NH4]+ 312.174023 181.7
[M+K]+ 333.103358 169.9
[M+H-H2O]+ 277.137460 157.7
[M+HCOO]- 339.138401 176.9
[M+CH3COO]- 353.154051 199.4
[M+Na-2H]- 315.114866 167.0
[M]+ 294.13965142 167.7
[M]- 294.14074858 167.7
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.