CID 3024611

96719-46-9

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

7
Patents

315.16232 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.169596 176.7
[M+Na]+ 338.151538 182.9
[M-H]- 314.155044 185.0
[M+NH4]+ 333.196143 189.9
[M+K]+ 354.125478 176.5
[M+H-H2O]+ 298.159580 165.7
[M+HCOO]- 360.160521 195.0
[M+CH3COO]- 374.176171 186.7
[M+Na-2H]- 336.136986 181.4
[M]+ 315.16177142 174.2
[M]- 315.16286858 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