CID 85152868

Romucosine c

Structural Information

Molecular Formula
C20H21NO5
SMILES
COC1=C(C2=C3C(CC4=C2C=C(C=C4)O)N(CCC3=C1)C(=O)OC)OC
InChI
InChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3
InChIKey
ILKYEDYPZACASH-UHFFFAOYSA-N
Compound name
methyl 10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 182.8
[M+Na]+ 378.13119 190.2
[M-H]- 354.13469 185.3
[M+NH4]+ 373.17579 197.1
[M+K]+ 394.10513 186.9
[M+H-H2O]+ 338.13923 174.0
[M+HCOO]- 400.14017 195.3
[M+CH3COO]- 414.15582 216.6
[M+Na-2H]- 376.11664 186.3
[M]+ 355.14142 186.7
[M]- 355.14252 186.7
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.