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]+ 356.18562 185.2
[M+Na]+ 378.16756 191.8
[M-H]- 354.17106 188.4
[M+NH4]+ 373.21216 200.0
[M+K]+ 394.14150 188.1
[M+H-H2O]+ 338.17560 175.3
[M+HCOO]- 400.17654 199.5
[M+CH3COO]- 414.19219 219.2
[M+Na-2H]- 376.15301 190.0
[M]+ 355.17779 190.6
[M]- 355.17889 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.