CID 78385443

Romucosine h

Structural Information

Molecular Formula
C21H23NO6
SMILES
COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1)O
InChI
InChI=1S/C21H23NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-6,10,13,23H,7-9H2,1-4H3
InChIKey
JWSAYTXQWHOMHU-UHFFFAOYSA-N
Compound name
methyl 11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

385.15253 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15981 190.3
[M+Na]+ 408.14175 197.7
[M-H]- 384.14525 192.9
[M+NH4]+ 403.18635 203.4
[M+K]+ 424.11569 195.3
[M+H-H2O]+ 368.14979 181.3
[M+HCOO]- 430.15073 202.4
[M+CH3COO]- 444.16638 223.1
[M+Na-2H]- 406.12720 192.8
[M]+ 385.15198 196.3
[M]- 385.15308 196.3
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.