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]+ 386.159806 190.3
[M+Na]+ 408.141748 197.7
[M-H]- 384.145254 192.9
[M+NH4]+ 403.186353 203.4
[M+K]+ 424.115688 195.3
[M+H-H2O]+ 368.149790 181.3
[M+HCOO]- 430.150731 202.4
[M+CH3COO]- 444.166381 223.1
[M+Na-2H]- 406.127196 192.8
[M]+ 385.15198142 196.3
[M]- 385.15307858 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.