CID 3213

Ellipticine

Structural Information

Molecular Formula
C17H14N2
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C
InChI
InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
InChIKey
CTSPAMFJBXKSOY-UHFFFAOYSA-N
Compound name
5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

581
References

14239
Patents

246.11569 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.122966 155.8
[M+Na]+ 269.104908 169.2
[M-H]- 245.108414 159.8
[M+NH4]+ 264.149513 175.6
[M+K]+ 285.078848 161.5
[M+H-H2O]+ 229.112950 148.1
[M+HCOO]- 291.113891 176.5
[M+CH3COO]- 305.129541 169.1
[M+Na-2H]- 267.090356 164.3
[M]+ 246.11514142 159.1
[M]- 246.11623858 159.1
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