CID 5742815

8-nitro-11h-indolo[3,2-c]cinnoline

Structural Information

Molecular Formula
C14H8N4O2
SMILES
C1=CC=C2C(=C1)C3=C(C4=C(N3)C=CC(=C4)[N+](=O)[O-])N=N2
InChI
InChI=1S/C14H8N4O2/c19-18(20)8-5-6-11-10(7-8)14-13(15-11)9-3-1-2-4-12(9)16-17-14/h1-7,15H
InChIKey
IAAFCBIOVBIPRM-UHFFFAOYSA-N
Compound name
8-nitro-11H-indolo[3,2-c]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.06473 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07201 152.4
[M+Na]+ 287.05395 163.5
[M-H]- 263.05745 155.2
[M+NH4]+ 282.09855 168.3
[M+K]+ 303.02789 153.1
[M+H-H2O]+ 247.06199 148.2
[M+HCOO]- 309.06293 173.6
[M+CH3COO]- 323.07858 189.7
[M+Na-2H]- 285.03940 165.6
[M]+ 264.06418 153.4
[M]- 264.06528 153.4
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.