CID 3301513

Pyrimidine, 4-(2-naphthalenyl)-

Structural Information

Molecular Formula
C14H10N2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NC=NC=C3
InChI
InChI=1S/C14H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)14-7-8-15-10-16-14/h1-10H
InChIKey
GQTQWUPEUCZLBI-UHFFFAOYSA-N
Compound name
4-naphthalen-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.0844 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09168 144.0
[M+Na]+ 229.07362 153.1
[M-H]- 205.07712 148.8
[M+NH4]+ 224.11822 160.8
[M+K]+ 245.04756 147.7
[M+H-H2O]+ 189.08166 134.8
[M+HCOO]- 251.08260 165.4
[M+CH3COO]- 265.09825 156.7
[M+Na-2H]- 227.05907 154.6
[M]+ 206.08385 143.0
[M]- 206.08495 143.0
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

patents stripe