CID 9950038
Tan-67
Structural Information
- Molecular Formula
- C23H24N2O
- SMILES
- CN1CC[C@@]2(CC3=NC4=CC=CC=C4C=C3C[C@H]2C1)C5=CC(=CC=C5)O
- InChI
- InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
- InChIKey
- LEPBHAAYNPPRRA-WMZHIEFXSA-N
- Compound name
- 3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 345.19615 | 185.8 |
[M+Na]+ | 367.17809 | 192.4 |
[M-H]- | 343.18159 | 189.7 |
[M+NH4]+ | 362.22269 | 199.9 |
[M+K]+ | 383.15203 | 184.5 |
[M+H-H2O]+ | 327.18613 | 173.5 |
[M+HCOO]- | 389.18707 | 196.0 |
[M+CH3COO]- | 403.20272 | 193.7 |
[M+Na-2H]- | 365.16354 | 190.9 |
[M]+ | 344.18832 | 180.2 |
[M]- | 344.18942 | 180.2 |