CID 3042049

1h-cyclopent(h)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-2-(3,4-dimethoxybenzyl)-, hydrobromide

Structural Information

Molecular Formula
C23H29NO4
SMILES
COC1=C(C=C(C=C1)CN2CCC3=C(C2)C4=C(CCC4)C(=C3OC)OC)OC
InChI
InChI=1S/C23H29NO4/c1-25-20-9-8-15(12-21(20)26-2)13-24-11-10-18-19(14-24)16-6-5-7-17(16)22(27-3)23(18)28-4/h8-9,12H,5-7,10-11,13-14H2,1-4H3
InChIKey
JLMJEBUFACZVSW-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 194.5
[M+Na]+ 406.19888 201.2
[M-H]- 382.20238 201.1
[M+NH4]+ 401.24348 208.9
[M+K]+ 422.17282 197.1
[M+H-H2O]+ 366.20692 185.3
[M+HCOO]- 428.20786 210.7
[M+CH3COO]- 442.22351 223.0
[M+Na-2H]- 404.18433 193.7
[M]+ 383.20911 198.8
[M]- 383.21021 198.8
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.