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

literature stripe

Patent stripe

patents stripe