CID 3024617

96719-53-8

Structural Information

Molecular Formula
C22H20BrNO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Br
InChI
InChI=1S/C22H20BrNO/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
XWHBMCPMGHGYPL-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.0728 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08008 184.1
[M+Na]+ 416.06202 191.9
[M+NH4]+ 411.10662 190.3
[M+K]+ 432.03596 187.7
[M-H]- 392.06552 190.0
[M+Na-2H]- 414.04747 191.3
[M]+ 393.07225 186.1
[M]- 393.07335 186.1
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.