CID 23307

Coralyne chloride

Structural Information

Molecular Formula
C22H22NO4
SMILES
CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC
InChI
InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1
InChIKey
GOEJQGGEIVSVOK-UHFFFAOYSA-N
Compound name
2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

115
References

990
Patents

364.15488 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16216 191.6
[M+Na]+ 387.14410 203.0
[M-H]- 363.14760 197.9
[M+NH4]+ 382.18870 206.2
[M+K]+ 403.11804 193.2
[M+H-H2O]+ 347.15214 184.1
[M+HCOO]- 409.15308 210.5
[M+CH3COO]- 423.16873 215.5
[M+Na-2H]- 385.12955 199.8
[M]+ 364.15433 200.5
[M]- 364.15543 200.5
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