CID 470170

(1s,2s,3r)-1-(3,4-dimethoxy-5-methylphenyl)-6,7,8-trimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C24H32O5
SMILES
C[C@@H]1CC2=CC(=C(C(=C2[C@@H]([C@H]1C)C3=CC(=C(C(=C3)C)OC)OC)OC)OC)OC
InChI
InChI=1S/C24H32O5/c1-13-9-17-12-19(26-5)23(28-7)24(29-8)21(17)20(15(13)3)16-10-14(2)22(27-6)18(11-16)25-4/h10-13,15,20H,9H2,1-8H3/t13-,15+,20+/m1/s1
InChIKey
WITQTCOCDXURMM-AFBRZQFHSA-N
Compound name
(1S,2S,3R)-1-(3,4-dimethoxy-5-methylphenyl)-6,7,8-trimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.22498 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23226 197.6
[M+Na]+ 423.21420 206.4
[M-H]- 399.21770 205.8
[M+NH4]+ 418.25880 211.0
[M+K]+ 439.18814 204.1
[M+H-H2O]+ 383.22224 188.8
[M+HCOO]- 445.22318 215.9
[M+CH3COO]- 459.23883 231.6
[M+Na-2H]- 421.19965 195.5
[M]+ 400.22443 206.6
[M]- 400.22553 206.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.