CID 43576

4-(p-chlorobenzyl)-5,6,7-trimethoxyisoquinoline hydrobromide

Structural Information

Molecular Formula
C19H18ClNO3
SMILES
COC1=C(C(=C2C=NC=C(C2=C1)CC3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C19H18ClNO3/c1-22-17-9-15-13(8-12-4-6-14(20)7-5-12)10-21-11-16(15)18(23-2)19(17)24-3/h4-7,9-11H,8H2,1-3H3
InChIKey
AKBFDZUWYCVTLG-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09753 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10481 178.9
[M+Na]+ 366.08675 189.7
[M-H]- 342.09025 185.6
[M+NH4]+ 361.13135 193.3
[M+K]+ 382.06069 184.2
[M+H-H2O]+ 326.09479 170.1
[M+HCOO]- 388.09573 195.8
[M+CH3COO]- 402.11138 212.8
[M+Na-2H]- 364.07220 183.2
[M]+ 343.09698 187.2
[M]- 343.09808 187.2
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.