CID 497803

Lindechunine a

Structural Information

Molecular Formula
C19H13NO6
SMILES
COC1=C2C(=C3C4=C(C=CC(=C4OC)O)C(=O)C5=NC=CC1=C35)OCO2
InChI
InChI=1S/C19H13NO6/c1-23-16-9-5-6-20-14-11(9)13(18-19(16)26-7-25-18)12-8(15(14)22)3-4-10(21)17(12)24-2/h3-6,21H,7H2,1-2H3
InChIKey
ZLFKJSKABHQLAQ-UHFFFAOYSA-N
Compound name
17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

351.07428 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 176.5
[M+Na]+ 374.06350 187.8
[M-H]- 350.06700 182.9
[M+NH4]+ 369.10810 191.3
[M+K]+ 390.03744 186.1
[M+H-H2O]+ 334.07154 168.9
[M+HCOO]- 396.07248 190.6
[M+CH3COO]- 410.08813 188.1
[M+Na-2H]- 372.04895 182.8
[M]+ 351.07373 184.9
[M]- 351.07483 184.9
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