CID 131752126

Romucosine a

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1=C(C=C2CCN(C3C2=C1C4=CC=CC=C4C3)C(=O)OC)O
InChI
InChI=1S/C19H19NO4/c1-23-18-15(21)10-12-7-8-20(19(22)24-2)14-9-11-5-3-4-6-13(11)17(18)16(12)14/h3-6,10,14,21H,7-9H2,1-2H3
InChIKey
WMSBEBIDBZELHC-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-1-methoxy-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

325.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 174.7
[M+Na]+ 348.12062 188.7
[M+NH4]+ 343.16522 183.2
[M+K]+ 364.09456 181.4
[M-H]- 324.12412 176.9
[M+Na-2H]- 346.10607 177.6
[M]+ 325.13085 177.3
[M]- 325.13195 177.3
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.