CID 133870

8-nitroellipticine

Structural Information

Molecular Formula
C17H13N3O2
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=CC(=C4)[N+](=O)[O-])C
InChI
InChI=1S/C17H13N3O2/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-4-3-11(20(21)22)7-15(13)19-17/h3-8,19H,1-2H3
InChIKey
ZBXKXJPKQHYRGN-UHFFFAOYSA-N
Compound name
5,11-dimethyl-8-nitro-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.10077 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 164.2
[M+Na]+ 314.08999 175.7
[M-H]- 290.09349 168.4
[M+NH4]+ 309.13459 180.9
[M+K]+ 330.06393 164.9
[M+H-H2O]+ 274.09803 160.6
[M+HCOO]- 336.09897 185.5
[M+CH3COO]- 350.11462 198.0
[M+Na-2H]- 312.07544 174.0
[M]+ 291.10022 166.4
[M]- 291.10132 166.4
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

No patent data available for this compound.