CID 392603

Nsc693143

Structural Information

Molecular Formula
C19H18NO2
SMILES
COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC=CC=C4C=C23)OC
InChI
InChI=1S/C19H18NO2/c1-21-18-10-14-7-8-20-12-15-6-4-3-5-13(15)9-17(20)16(14)11-19(18)22-2/h3-6,9-12H,7-8H2,1-2H3/q+1
InChIKey
FWMPTEXVVDVTGL-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13376 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14104 170.0
[M+Na]+ 315.12298 178.9
[M-H]- 291.12648 175.1
[M+NH4]+ 310.16758 186.9
[M+K]+ 331.09692 168.2
[M+H-H2O]+ 275.13102 163.3
[M+HCOO]- 337.13196 187.3
[M+CH3COO]- 351.14761 199.6
[M+Na-2H]- 313.10843 180.0
[M]+ 292.13321 171.4
[M]- 292.13431 171.4
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

No patent data available for this compound.