CID 611187

Pyrimidine, 2-(4-pentylphenyl)-5-propyl-

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)CCC
InChI
InChI=1S/C18H24N2/c1-3-5-6-8-15-9-11-17(12-10-15)18-19-13-16(7-4-2)14-20-18/h9-14H,3-8H2,1-2H3
InChIKey
BPXPKCJIMREFKC-UHFFFAOYSA-N
Compound name
2-(4-pentylphenyl)-5-propylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

268.19394 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 167.0
[M+Na]+ 291.183158 173.8
[M-H]- 267.186664 170.2
[M+NH4]+ 286.227763 180.9
[M+K]+ 307.157098 168.4
[M+H-H2O]+ 251.191200 157.2
[M+HCOO]- 313.192141 187.3
[M+CH3COO]- 327.207791 201.6
[M+Na-2H]- 289.168606 171.5
[M]+ 268.19339142 169.2
[M]- 268.19448858 169.2
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