CID 3024618

96719-54-9

Structural Information

Molecular Formula
C22H20ClNO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H20ClNO/c1-25-20-10-11-21-16(15-20)12-13-24(19-8-3-2-4-9-19)22(21)17-6-5-7-18(23)14-17/h2-11,14-15,22H,12-13H2,1H3
InChIKey
QTMHZXNYRSWGDP-UHFFFAOYSA-N
Compound name
1-(3-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 184.0
[M+Na]+ 372.11257 192.0
[M-H]- 348.11607 192.3
[M+NH4]+ 367.15717 197.1
[M+K]+ 388.08651 184.2
[M+H-H2O]+ 332.12061 173.5
[M+HCOO]- 394.12155 197.7
[M+CH3COO]- 408.13720 193.9
[M+Na-2H]- 370.09802 187.4
[M]+ 349.12280 184.4
[M]- 349.12390 184.4
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.