CID 3045992

4h-dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-10,11-bis(methoxymethoxy)-6-methyl-, (r)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

Structural Information

Molecular Formula
C21H25NO4
SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)OCOC)OCOC
InChI
InChI=1S/C21H25NO4/c1-22-10-9-14-5-4-6-16-19(14)17(22)11-15-7-8-18(25-12-23-2)21(20(15)16)26-13-24-3/h4-8,17H,9-13H2,1-3H3/t17-/m1/s1
InChIKey
NPWPMBBGPVNIJD-QGZVFWFLSA-N
Compound name
(6aR)-10,11-bis(methoxymethoxy)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.185616 185.2
[M+Na]+ 378.167558 191.8
[M-H]- 354.171064 188.4
[M+NH4]+ 373.212163 200.0
[M+K]+ 394.141498 188.1
[M+H-H2O]+ 338.175600 175.3
[M+HCOO]- 400.176541 199.5
[M+CH3COO]- 414.192191 219.2
[M+Na-2H]- 376.153006 190.0
[M]+ 355.17779142 190.6
[M]- 355.17888858 190.6
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.