CID 44000

62334-30-9

Structural Information

Molecular Formula
C21H22ClNO2
SMILES
CC(C)C1=NC=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H22ClNO2/c1-13(2)21-18-11-20(25-4)19(24-3)10-17(18)15(12-23-21)9-14-5-7-16(22)8-6-14/h5-8,10-13H,9H2,1-4H3
InChIKey
GODDZZSCRYOPAF-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1339 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14118 184.6
[M+Na]+ 378.12312 194.4
[M-H]- 354.12662 191.0
[M+NH4]+ 373.16772 198.6
[M+K]+ 394.09706 188.3
[M+H-H2O]+ 338.13116 175.9
[M+HCOO]- 400.13210 199.7
[M+CH3COO]- 414.14775 217.4
[M+Na-2H]- 376.10857 186.7
[M]+ 355.13335 191.7
[M]- 355.13445 191.7
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.