CID 3078111

119952-73-7

Structural Information

Molecular Formula
C23H30NO4
SMILES
C[N+]1(CC2=CC(=C(C=C2CC1C3=CC(=C(C=C3C=C)OC)OC)OC)OC)C
InChI
InChI=1S/C23H30NO4/c1-8-15-10-20(25-4)23(28-7)13-18(15)19-9-16-11-21(26-5)22(27-6)12-17(16)14-24(19,2)3/h8,10-13,19H,1,9,14H2,2-7H3/q+1
InChIKey
JDRUAJPVMWOKOI-UHFFFAOYSA-N
Compound name
3-(2-ethenyl-4,5-dimethoxyphenyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.21747 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22475 194.4
[M+Na]+ 407.20669 203.0
[M-H]- 383.21019 201.1
[M+NH4]+ 402.25129 208.5
[M+K]+ 423.18063 193.4
[M+H-H2O]+ 367.21473 187.9
[M+HCOO]- 429.21567 211.3
[M+CH3COO]- 443.23132 218.1
[M+Na-2H]- 405.19214 197.5
[M]+ 384.21692 199.1
[M]- 384.21802 199.1
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.