CID 3078138

3-(2-vinyl-4,5-dimethoxyphenyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C22H27NO4
SMILES
CN1CC2=CC(=C(C=C2CC1C3=CC(=C(C=C3C=C)OC)OC)OC)OC
InChI
InChI=1S/C22H27NO4/c1-7-14-9-19(24-3)22(27-6)12-17(14)18-8-15-10-20(25-4)21(26-5)11-16(15)13-23(18)2/h7,9-12,18H,1,8,13H2,2-6H3
InChIKey
JTUFJIPJMRCQTE-UHFFFAOYSA-N
Compound name
3-(2-ethenyl-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.194 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.3
[M+Na]+ 392.18322 198.8
[M-H]- 368.18672 196.7
[M+NH4]+ 387.22782 203.0
[M+K]+ 408.15716 194.9
[M+H-H2O]+ 352.19126 180.8
[M+HCOO]- 414.19220 208.1
[M+CH3COO]- 428.20785 222.8
[M+Na-2H]- 390.16867 190.3
[M]+ 369.19345 196.2
[M]- 369.19455 196.2
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.