CID 12238611
Dtxsid30884693
Structural Information
- Molecular Formula
- C23H34N2O
- SMILES
- CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC
- InChI
- InChI=1S/C23H34N2O/c1-3-5-7-9-11-17-26-22-15-13-21(14-16-22)23-24-18-20(19-25-23)12-10-8-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3
- InChIKey
- AEEUYSFCGITNNH-UHFFFAOYSA-N
- Compound name
- 2-(4-heptoxyphenyl)-5-hexylpyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.27440 | 192.8 |
[M+Na]+ | 377.25634 | 197.2 |
[M-H]- | 353.25984 | 195.0 |
[M+NH4]+ | 372.30094 | 203.0 |
[M+K]+ | 393.23028 | 191.2 |
[M+H-H2O]+ | 337.26438 | 181.7 |
[M+HCOO]- | 399.26532 | 211.5 |
[M+CH3COO]- | 413.28097 | 218.3 |
[M+Na-2H]- | 375.24179 | 194.5 |
[M]+ | 354.26657 | 198.0 |
[M]- | 354.26767 | 198.0 |
Literature stripe
No literature data available for this compound.