CID 55473
Lavoltidine
Structural Information
- Molecular Formula
- C19H29N5O2
- SMILES
- CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3
- InChI
- InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
- InChIKey
- VTLNPNNUIJHJQB-UHFFFAOYSA-N
- Compound name
- [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 360.23940 | 187.4 |
[M+Na]+ | 382.22134 | 191.0 |
[M-H]- | 358.22484 | 189.4 |
[M+NH4]+ | 377.26594 | 194.8 |
[M+K]+ | 398.19528 | 185.5 |
[M+H-H2O]+ | 342.22938 | 175.2 |
[M+HCOO]- | 404.23032 | 202.4 |
[M+CH3COO]- | 418.24597 | 214.6 |
[M+Na-2H]- | 380.20679 | 187.6 |
[M]+ | 359.23157 | 185.5 |
[M]- | 359.23267 | 185.5 |