CID 59340

102395-76-6

Structural Information

Molecular Formula
C22H20ClN
SMILES
C1CN(CC2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H20ClN/c23-21-12-10-19(11-13-21)22(18-7-2-1-3-8-18)24-15-14-17-6-4-5-9-20(17)16-24/h1-13,22H,14-16H2
InChIKey
CXCQFEOQOQSCFQ-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.12842 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13570 179.5
[M+Na]+ 356.11764 185.4
[M-H]- 332.12114 187.0
[M+NH4]+ 351.16224 192.6
[M+K]+ 372.09158 177.3
[M+H-H2O]+ 316.12568 169.0
[M+HCOO]- 378.12662 192.1
[M+CH3COO]- 392.14227 188.8
[M+Na-2H]- 354.10309 183.3
[M]+ 333.12787 177.2
[M]- 333.12897 177.2
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.