CID 366188

Nsc634515

Structural Information

Molecular Formula
C19H20BrNO3
SMILES
COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)Br
InChI
InChI=1S/C19H20BrNO3/c1-22-17-5-4-12(8-15(17)20)9-16-14-11-19(24-3)18(23-2)10-13(14)6-7-21-16/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKey
FNHNRCUJHUNZIF-UHFFFAOYSA-N
Compound name
1-[(3-bromo-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.06265 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06993 184.2
[M+Na]+ 412.05187 195.3
[M-H]- 388.05537 192.8
[M+NH4]+ 407.09647 199.6
[M+K]+ 428.02581 184.0
[M+H-H2O]+ 372.05991 181.5
[M+HCOO]- 434.06085 201.8
[M+CH3COO]- 448.07650 217.5
[M+Na-2H]- 410.03732 188.7
[M]+ 389.06210 207.1
[M]- 389.06320 207.1
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.