CID 4421292

74840-36-1

Structural Information

Molecular Formula
C18H15ClN2OS
SMILES
CSC1=NC=C(C(=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)Cl
InChI
InChI=1S/C18H15ClN2OS/c1-23-17-20-12-15(19)16(21-17)18(22,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,22H,1H3
InChIKey
IHAPAYWXDBTOMX-UHFFFAOYSA-N
Compound name
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.05936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06664 176.8
[M+Na]+ 365.04858 185.9
[M-H]- 341.05208 182.7
[M+NH4]+ 360.09318 188.0
[M+K]+ 381.02252 177.8
[M+H-H2O]+ 325.05662 168.0
[M+HCOO]- 387.05756 186.1
[M+CH3COO]- 401.07321 186.8
[M+Na-2H]- 363.03403 181.0
[M]+ 342.05881 179.7
[M]- 342.05991 179.7
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.