CID 604327

2-(4-fluorophenyl)-5-pentylpyrimidine

Structural Information

Molecular Formula
C15H17FN2
SMILES
CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H17FN2/c1-2-3-4-5-12-10-17-15(18-11-12)13-6-8-14(16)9-7-13/h6-11H,2-5H2,1H3
InChIKey
RWLYKSJIUZMCNQ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-pentylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

244.13757 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14485 156.2
[M+Na]+ 267.12679 164.4
[M-H]- 243.13029 158.6
[M+NH4]+ 262.17139 171.1
[M+K]+ 283.10073 159.3
[M+H-H2O]+ 227.13483 146.1
[M+HCOO]- 289.13577 176.5
[M+CH3COO]- 303.15142 195.3
[M+Na-2H]- 265.11224 161.8
[M]+ 244.13702 156.3
[M]- 244.13812 156.3
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