CID 3024620

96719-60-7

Structural Information

Molecular Formula
C22H20BrNO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H20BrNO/c1-25-20-11-12-21-17(15-20)13-14-24(19-5-3-2-4-6-19)22(21)16-7-9-18(23)10-8-16/h2-12,15,22H,13-14H2,1H3
InChIKey
JZWXUANUQPJQOI-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 189.7
[M+Na]+ 416.06202 199.0
[M-H]- 392.06552 200.3
[M+NH4]+ 411.10662 204.0
[M+K]+ 432.03596 186.1
[M+H-H2O]+ 376.07006 186.3
[M+HCOO]- 438.07100 205.7
[M+CH3COO]- 452.08665 201.0
[M+Na-2H]- 414.04747 194.1
[M]+ 393.07225 206.3
[M]- 393.07335 206.3
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

patents stripe