CID 131750994

Muricinine

Structural Information

Molecular Formula
C18H19NO4
SMILES
COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3)OC)O)C=C1)O
InChI
InChI=1S/C18H19NO4/c1-22-12-4-3-9-7-11-14-10(5-6-19-11)8-13(23-2)18(21)16(14)15(9)17(12)20/h3-4,8,11,19-21H,5-7H2,1-2H3
InChIKey
POIRVLZGTSWEMG-UHFFFAOYSA-N
Compound name
2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
Patents

313.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 172.1
[M+Na]+ 336.12062 179.9
[M-H]- 312.12412 172.3
[M+NH4]+ 331.16522 187.0
[M+K]+ 352.09456 174.6
[M+H-H2O]+ 296.12866 164.4
[M+HCOO]- 358.12960 183.1
[M+CH3COO]- 372.14525 181.3
[M+Na-2H]- 334.10607 176.9
[M]+ 313.13085 172.0
[M]- 313.13195 172.0
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

patents stripe