CID 45498

63937-60-0

Structural Information

Molecular Formula
C21H27NO2
SMILES
CN1CCC2=CC(=C(C=C2C1CCCC3=CC=CC=C3)OC)OC
InChI
InChI=1S/C21H27NO2/c1-22-13-12-17-14-20(23-2)21(24-3)15-18(17)19(22)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15,19H,7,10-13H2,1-3H3
InChIKey
IIRBGKIVPSQWDJ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-methyl-1-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.1
[M+Na]+ 348.19342 187.4
[M-H]- 324.19692 186.5
[M+NH4]+ 343.23802 195.0
[M+K]+ 364.16736 182.6
[M+H-H2O]+ 308.20146 171.4
[M+HCOO]- 370.20240 198.9
[M+CH3COO]- 384.21805 212.5
[M+Na-2H]- 346.17887 183.5
[M]+ 325.20365 183.1
[M]- 325.20475 183.1
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.