CID 12238609

Dtxsid70884692

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCC
InChI
InChI=1S/C21H30N2O/c1-3-5-7-8-10-18-16-22-21(23-17-18)19-11-13-20(14-12-19)24-15-9-6-4-2/h11-14,16-17H,3-10,15H2,1-2H3
InChIKey
FJRQLNHSTIQROP-UHFFFAOYSA-N
Compound name
5-hexyl-2-(4-pentoxyphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

326.2358 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 183.9
[M+Na]+ 349.22502 189.2
[M-H]- 325.22852 186.5
[M+NH4]+ 344.26962 195.3
[M+K]+ 365.19896 183.7
[M+H-H2O]+ 309.23306 173.2
[M+HCOO]- 371.23400 203.3
[M+CH3COO]- 385.24965 212.4
[M+Na-2H]- 347.21047 186.7
[M]+ 326.23525 188.5
[M]- 326.23635 188.5
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