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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15973 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16701 185.5
[M+Na]+ 432.14895 191.5
[M+NH4]+ 427.19355 188.8
[M+K]+ 448.12289 187.2
[M-H]- 408.15245 188.3
[M+Na-2H]- 430.13440 188.8
[M]+ 409.15918 187.4
[M]- 409.16028 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.