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 167.2
[M+Na]+ 299.13932 180.9
[M-H]- 275.14282 172.8
[M+NH4]+ 294.18392 186.0
[M+K]+ 315.11326 168.3
[M+H-H2O]+ 259.14736 161.8
[M+HCOO]- 321.14830 188.9
[M+CH3COO]- 335.16395 180.1
[M+Na-2H]- 297.12477 176.1
[M]+ 276.14955 170.7
[M]- 276.15065 170.7
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.