CID 125823

9-methoxy-n(2)-methylellipticinium

Structural Information

Molecular Formula
C19H19N2O
SMILES
CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C
InChI
InChI=1S/C19H18N2O/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19/h5-10H,1-4H3/p+1
InChIKey
RDBUEZAMXPXNRH-UHFFFAOYSA-O
Compound name
9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

134
Patents

291.14975 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15703 172.1
[M+Na]+ 314.13897 185.6
[M-H]- 290.14247 176.8
[M+NH4]+ 309.18357 190.1
[M+K]+ 330.11291 172.9
[M+H-H2O]+ 274.14701 166.8
[M+HCOO]- 336.14795 191.7
[M+CH3COO]- 350.16360 199.0
[M+Na-2H]- 312.12442 180.3
[M]+ 291.14920 177.0
[M]- 291.15030 177.0
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