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]+ 292.108046 164.2
[M+Na]+ 314.089988 175.7
[M-H]- 290.093494 168.4
[M+NH4]+ 309.134593 180.9
[M+K]+ 330.063928 164.9
[M+H-H2O]+ 274.098030 160.6
[M+HCOO]- 336.098971 185.5
[M+CH3COO]- 350.114621 198.0
[M+Na-2H]- 312.075436 174.0
[M]+ 291.10022142 166.4
[M]- 291.10131858 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.