CID 204279
5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)dibenz(c,f)azocine
Structural Information
- Molecular Formula
- C28H24ClN
- SMILES
- C1C2=CC=CC=C2CN(CC3=CC=CC=C31)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl
- InChI
- InChI=1S/C28H24ClN/c29-27-16-14-22(15-17-27)28(21-8-2-1-3-9-21)30-19-25-12-6-4-10-23(25)18-24-11-5-7-13-26(24)20-30/h1-17,28H,18-20H2
- InChIKey
- WWQCYFRAHRCGKA-UHFFFAOYSA-N
- Compound name
- 11-[(4-chlorophenyl)-phenylmethyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 410.16701 | 181.9 |
[M+Na]+ | 432.14895 | 186.0 |
[M-H]- | 408.15245 | 185.4 |
[M+NH4]+ | 427.19355 | 186.6 |
[M+K]+ | 448.12289 | 182.4 |
[M+H-H2O]+ | 392.15699 | 175.3 |
[M+HCOO]- | 454.15793 | 186.4 |
[M+CH3COO]- | 468.17358 | 184.3 |
[M+Na-2H]- | 430.13440 | 180.5 |
[M]+ | 409.15918 | 180.8 |
[M]- | 409.16028 | 180.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.