CID 125771

2-methylellipticinium

Structural Information

Molecular Formula
C18H17N2
SMILES
CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)C
InChI
InChI=1S/C18H16N2/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18/h4-10H,1-3H3/p+1
InChIKey
VXRLUFPGDHFNHT-UHFFFAOYSA-O
Compound name
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

7
Patents

261.13916 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14644 163.2
[M+Na]+ 284.12838 176.6
[M-H]- 260.13188 167.7
[M+NH4]+ 279.17298 182.3
[M+K]+ 300.10232 163.4
[M+H-H2O]+ 244.13642 158.1
[M+HCOO]- 306.13736 183.1
[M+CH3COO]- 320.15301 176.0
[M+Na-2H]- 282.11383 172.7
[M]+ 261.13861 166.1
[M]- 261.13971 166.1
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