CID 3038178

2(1h)-pyrimidinethione, 4,6-diphenyl-

Structural Information

Molecular Formula
C16H12N2S
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2S/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKey
YFOKEAIUZJMAMD-UHFFFAOYSA-N
Compound name
4,6-diphenyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

264.0721 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07938 157.6
[M+Na]+ 287.06132 175.5
[M+NH4]+ 282.10592 167.2
[M+K]+ 303.03526 163.8
[M-H]- 263.06482 164.4
[M+Na-2H]- 285.04677 170.2
[M]+ 264.07155 162.8
[M]- 264.07265 162.8
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

patents stripe