CID 42723

Elliptinium

Structural Information

Molecular Formula
C18H17N2O
SMILES
CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C
InChI
InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
InChIKey
YZQRAQOSAPWELU-UHFFFAOYSA-O
Compound name
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

148
References

28092
Patents

277.1341 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14138 162.2
[M+Na]+ 300.12332 182.3
[M+NH4]+ 295.16792 172.9
[M+K]+ 316.09726 175.7
[M-H]- 276.12682 167.4
[M+Na-2H]- 298.10877 169.8
[M]+ 277.13355 167.3
[M]- 277.13465 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

literature stripe

Patent stripe

patents stripe