CID 139583343
(1s,4s,5s,6s,8r,19s)-4-ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10(18),12,14,16-tetraen-19-ol
Structural Information
- Molecular Formula
- C26H30N2O2
- SMILES
- C[C@]1(CC[C@@H]2[C@]3([C@]1([C@H]4[C@H](O4)C(C5=C3C6=C(C2(C)C)C=CC=C6N5)(C)C)[N+]#[C-])O)C=C
- InChI
- InChI=1S/C26H30N2O2/c1-8-24(6)13-12-16-22(2,3)14-10-9-11-15-17(14)18-19(28-15)23(4,5)20-21(30-20)26(24,27-7)25(16,18)29/h8-11,16,20-21,28-29H,1,12-13H2,2-6H3/t16-,20-,21+,24+,25-,26+/m0/s1
- InChIKey
- RVIIZRJMWFSNER-BDOGLJFWSA-N
- Compound name
- (1S,4S,5S,6S,8R,19S)-4-ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10(18),12,14,16-tetraen-19-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.23802 | 193.9 |
[M+Na]+ | 425.21996 | 212.3 |
[M-H]- | 401.22346 | 198.6 |
[M+NH4]+ | 420.26456 | 211.2 |
[M+K]+ | 441.19390 | 192.5 |
[M+H-H2O]+ | 385.22800 | 188.2 |
[M+HCOO]- | 447.22894 | 197.3 |
[M+CH3COO]- | 461.24459 | 226.6 |
[M+Na-2H]- | 423.20541 | 201.1 |
[M]+ | 402.23019 | 192.4 |
[M]- | 402.23129 | 192.4 |
Literature stripe
Patent stripe
No patent data available for this compound.