CID 172429329
Campesine d
Structural Information
- Molecular Formula
- C35H48N6O
- SMILES
- CC(C)[C@H]1CN2[C@@H](CC34[C@H](NC5=CC=CC=C53)N6C[C@@H](N(CC6CC47[C@@H]2NC8=CC=CC=C78)C)C(C)C)CN1C(=O)C
- InChI
- InChI=1S/C35H48N6O/c1-21(2)30-19-40-24(17-38(30)6)15-34-26-11-7-9-13-28(26)37-33(34)41-20-31(22(3)4)39(23(5)42)18-25(41)16-35(34)27-12-8-10-14-29(27)36-32(35)40/h7-14,21-22,24-25,30-33,36-37H,15-20H2,1-6H3/t24?,25-,30+,31+,32+,33+,34?,35?/m0/s1
- InChIKey
- SBDJLLLZXXCPAH-SPRIUAQDSA-N
- Compound name
- 1-[(9R,12S,15S,25R,28S)-29-methyl-12,28-di(propan-2-yl)-8,10,13,24,26,29-hexazaoctacyclo[15.15.0.01,9.02,7.010,15.017,25.018,23.026,31]dotriaconta-2,4,6,18,20,22-hexaen-13-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 569.39628 | 242.1 |
[M+Na]+ | 591.37822 | 243.3 |
[M-H]- | 567.38172 | 239.5 |
[M+NH4]+ | 586.42282 | 248.7 |
[M+K]+ | 607.35216 | 233.4 |
[M+H-H2O]+ | 551.38626 | 226.6 |
[M+HCOO]- | 613.38720 | 230.7 |
[M+CH3COO]- | 627.40285 | 241.0 |
[M+Na-2H]- | 589.36367 | 230.3 |
[M]+ | 568.38845 | 231.9 |
[M]- | 568.38955 | 231.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.