CID 3024586
9-octadecynamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-
Structural Information
- Molecular Formula
- C26H41NO3
- SMILES
- CCCCCCCCC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
- InChI
- InChI=1S/C26H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)
- InChIKey
- BBRZZCYVWKZJJY-UHFFFAOYSA-N
- Compound name
- N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-ynamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 416.31593 | 204.6 |
[M+Na]+ | 438.29787 | 208.4 |
[M-H]- | 414.30137 | 203.3 |
[M+NH4]+ | 433.34247 | 213.1 |
[M+K]+ | 454.27181 | 201.8 |
[M+H-H2O]+ | 398.30591 | 190.3 |
[M+HCOO]- | 460.30685 | 217.7 |
[M+CH3COO]- | 474.32250 | 232.2 |
[M+Na-2H]- | 436.28332 | 200.9 |
[M]+ | 415.30810 | 204.7 |
[M]- | 415.30920 | 204.7 |