CID 3076881

132681-02-8

Structural Information

Molecular Formula
C22H27NO4
SMILES
CC1(CC2=CC(=C(C=C2C(=N1)CC3=CC(=C(C=C3)OC)OC)OC)OC)C
InChI
InChI=1S/C22H27NO4/c1-22(2)13-15-11-20(26-5)21(27-6)12-16(15)17(23-22)9-14-7-8-18(24-3)19(10-14)25-4/h7-8,10-12H,9,13H2,1-6H3
InChIKey
VPISLBMVMRDLDP-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,3-dimethyl-4H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 189.8
[M+Na]+ 392.18322 205.5
[M+NH4]+ 387.22782 198.7
[M+K]+ 408.15716 195.3
[M-H]- 368.18672 194.3
[M+Na-2H]- 390.16867 198.0
[M]+ 369.19345 193.7
[M]- 369.19455 193.7
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.