CID 3024613

96719-48-1

Structural Information

Molecular Formula
C22H20ClNO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C22H20ClNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3
InChIKey
VTCSPRDLJWCJAP-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.12335 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13063 184.1
[M+Na]+ 372.11257 203.2
[M+NH4]+ 367.15717 194.7
[M+K]+ 388.08651 191.4
[M-H]- 348.11607 192.6
[M+Na-2H]- 370.09802 195.6
[M]+ 349.12280 190.0
[M]- 349.12390 190.0
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.