CID 4421292

(5-chloro-2-(methylthio)pyrimidin-4-yl)diphenylmethanol

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 179.4
[M+Na]+ 365.04858 196.8
[M+NH4]+ 360.09318 188.4
[M+K]+ 381.02252 185.5
[M-H]- 341.05208 185.3
[M+Na-2H]- 363.03403 191.0
[M]+ 342.05881 184.7
[M]- 342.05991 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.