CID 3059584

9-aminoellipticine methiodide

Structural Information

Molecular Formula
C18H18N3
SMILES
CC1=C2C=[N+](C=CC2=C(N3C1=C4C=C(C=CC4=C3)N)C)C
InChI
InChI=1S/C18H17N3/c1-11-17-10-20(3)7-6-15(17)12(2)21-9-13-4-5-14(19)8-16(13)18(11)21/h4-10,19H,1-3H3/p+1
InChIKey
FJMUAEWREIHLJI-UHFFFAOYSA-O
Compound name
2,5,12-trimethylisoindolo[2,1-b][2,6]naphthyridin-2-ium-10-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1501 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15738 161.8
[M+Na]+ 299.13932 181.9
[M+NH4]+ 294.18392 173.1
[M+K]+ 315.11326 174.8
[M-H]- 275.14282 168.6
[M+Na-2H]- 297.12477 170.3
[M]+ 276.14955 167.3
[M]- 276.15065 167.3
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.