CID 494223

Nsc299190

Structural Information

Molecular Formula
C20H18NO4
SMILES
COC1=CC2=C[N+]3=C(C=C2C=C1O)C4=CC(=C(C=C4C=C3)OC)OC
InChI
InChI=1S/C20H17NO4/c1-23-18-9-14-11-21-5-4-12-8-19(24-2)20(25-3)10-15(12)16(21)6-13(14)7-17(18)22/h4-11H,1-3H3/p+1
InChIKey
PZDNJXFQCDKSOL-UHFFFAOYSA-O
Compound name
2,3,10-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1236 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13088 181.2
[M+Na]+ 359.11282 192.3
[M-H]- 335.11632 186.3
[M+NH4]+ 354.15742 196.0
[M+K]+ 375.08676 182.1
[M+H-H2O]+ 319.12086 174.5
[M+HCOO]- 381.12180 199.6
[M+CH3COO]- 395.13745 206.1
[M+Na-2H]- 357.09827 191.0
[M]+ 336.12305 187.5
[M]- 336.12415 187.5
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.