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 186.9
[M+Na]+ 389.15975 204.9
[M+NH4]+ 384.20435 196.6
[M+K]+ 405.13369 198.8
[M-H]- 365.16325 192.1
[M+Na-2H]- 387.14520 191.5
[M]+ 366.16998 191.6
[M]- 366.17108 191.6
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.