CID 3024611

1,2,3,4-tetrahydro-1,2-diphenyl-6-methoxyisoquinoline

Structural Information

Molecular Formula
C22H21NO
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H21NO/c1-24-20-12-13-21-18(16-20)14-15-23(19-10-6-3-7-11-19)22(21)17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3
InChIKey
FNPFSMMZCAJYPR-UHFFFAOYSA-N
Compound name
6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

315.16232 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16960 176.7
[M+Na]+ 338.15154 182.9
[M-H]- 314.15504 185.0
[M+NH4]+ 333.19614 189.9
[M+K]+ 354.12548 176.5
[M+H-H2O]+ 298.15958 165.7
[M+HCOO]- 360.16052 195.0
[M+CH3COO]- 374.17617 186.7
[M+Na-2H]- 336.13699 181.4
[M]+ 315.16177 174.2
[M]- 315.16287 174.2
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

patents stripe