CID 180586

4-methyl-5-phenylpyrimidine

Structural Information

Molecular Formula
C11H10N2
SMILES
CC1=NC=NC=C1C2=CC=CC=C2
InChI
InChI=1S/C11H10N2/c1-9-11(7-12-8-13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
RPXGYQFOIZMYAF-UHFFFAOYSA-N
Compound name
4-methyl-5-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

130
Patents

170.0844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 135.7
[M+Na]+ 193.07362 152.3
[M+NH4]+ 188.11822 145.2
[M+K]+ 209.04756 143.8
[M-H]- 169.07712 140.3
[M+Na-2H]- 191.05907 147.2
[M]+ 170.08385 139.6
[M]- 170.08495 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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