CID 45515

63937-77-9

Structural Information

Molecular Formula
C24H30ClNO2
SMILES
CC(=CCN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)OC)OC)C
InChI
InChI=1S/C24H30ClNO2/c1-17(2)11-13-26-14-12-19-15-23(27-3)24(28-4)16-21(19)22(26)10-7-18-5-8-20(25)9-6-18/h5-6,8-9,11,15-16,22H,7,10,12-14H2,1-4H3
InChIKey
GJFGPQLNCBQNPS-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1965 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20378 199.8
[M+Na]+ 422.18572 206.5
[M-H]- 398.18922 204.8
[M+NH4]+ 417.23032 211.8
[M+K]+ 438.15966 199.5
[M+H-H2O]+ 382.19376 190.5
[M+HCOO]- 444.19470 211.1
[M+CH3COO]- 458.21035 225.5
[M+Na-2H]- 420.17117 198.2
[M]+ 399.19595 204.2
[M]- 399.19705 204.2
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

No patent data available for this compound.