CID 3077981

Brn 5361062

Structural Information

Molecular Formula
C22H23NO6
SMILES
CC1(C2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=O)N3C)OC)OC)OC)OC)O
InChI
InChI=1S/C22H23NO6/c1-22(25)14-10-18(29-6)17(28-5)9-13(14)20-19(22)11-7-15(26-3)16(27-4)8-12(11)21(24)23(20)2/h7-10,25H,1-6H3
InChIKey
UNHMZCIQRJNBRB-UHFFFAOYSA-N
Compound name
11-hydroxy-2,3,8,9-tetramethoxy-6,11-dimethylindeno[1,2-c]isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.15253 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15981 192.6
[M+Na]+ 420.14175 205.6
[M-H]- 396.14525 198.2
[M+NH4]+ 415.18635 209.8
[M+K]+ 436.11569 201.9
[M+H-H2O]+ 380.14979 185.4
[M+HCOO]- 442.15073 210.4
[M+CH3COO]- 456.16638 226.0
[M+Na-2H]- 418.12720 195.4
[M]+ 397.15198 204.3
[M]- 397.15308 204.3
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.