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 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
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.