CID 77917

11-demethylellipticine

Structural Information

Molecular Formula
C16H12N2
SMILES
CC1=C2C=CN=CC2=CC3=C1NC4=CC=CC=C43
InChI
InChI=1S/C16H12N2/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-9,18H,1H3
InChIKey
IWBSLSHNIIOYRW-UHFFFAOYSA-N
Compound name
5-methyl-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

232.10005 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10733 150.3
[M+Na]+ 255.08927 163.3
[M-H]- 231.09277 154.1
[M+NH4]+ 250.13387 170.4
[M+K]+ 271.06321 155.8
[M+H-H2O]+ 215.09731 142.7
[M+HCOO]- 277.09825 171.4
[M+CH3COO]- 291.11390 163.8
[M+Na-2H]- 253.07472 160.2
[M]+ 232.09950 152.9
[M]- 232.10060 152.9
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