CID 97082

9-methylellipticine

Structural Information

Molecular Formula
C18H16N2
SMILES
CC1=CC2=C(C=C1)NC3=C2C(=C4C=NC=CC4=C3C)C
InChI
InChI=1S/C18H16N2/c1-10-4-5-16-14(8-10)17-11(2)15-9-19-7-6-13(15)12(3)18(17)20-16/h4-9,20H,1-3H3
InChIKey
BYHFFXRDZVPQCW-UHFFFAOYSA-N
Compound name
5,9,11-trimethyl-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

260.13135 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 161.2
[M+Na]+ 283.12057 175.0
[M-H]- 259.12407 165.4
[M+NH4]+ 278.16517 180.7
[M+K]+ 299.09451 167.1
[M+H-H2O]+ 243.12861 153.5
[M+HCOO]- 305.12955 181.5
[M+CH3COO]- 319.14520 174.3
[M+Na-2H]- 281.10602 168.4
[M]+ 260.13080 165.2
[M]- 260.13190 165.2
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.