CID 3079355

(+-)-6,11-dimethyl-2,3,8,9-tetramethoxy-11h-indeno(1,2-c)isoquinolinium chloride

Structural Information

Molecular Formula
C22H24NO4
SMILES
CC1C2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=[N+]3C)OC)OC)OC)OC
InChI
InChI=1S/C22H24NO4/c1-12-14-8-18(25-4)20(27-6)10-16(14)22-21(12)15-9-19(26-5)17(24-3)7-13(15)11-23(22)2/h7-12H,1-6H3/q+1
InChIKey
HKCJETUWTDUEQI-UHFFFAOYSA-N
Compound name
2,3,8,9-tetramethoxy-6,11-dimethyl-11H-indeno[1,2-c]isoquinolin-6-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.17053 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17781 192.5
[M+Na]+ 389.15975 203.8
[M-H]- 365.16325 199.0
[M+NH4]+ 384.20435 209.2
[M+K]+ 405.13369 194.1
[M+H-H2O]+ 349.16779 187.0
[M+HCOO]- 411.16873 211.0
[M+CH3COO]- 425.18438 216.7
[M+Na-2H]- 387.14520 196.7
[M]+ 366.16998 201.4
[M]- 366.17108 201.4
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.