CID 255771

Nsc81523

Structural Information

Molecular Formula
C16H10N2O
SMILES
C1=CC=C2C(=C1)C=C3C(=C4C=CC=CC4=C3N=O)N2
InChI
InChI=1S/C16H10N2O/c19-18-16-12-7-3-2-6-11(12)15-13(16)9-10-5-1-4-8-14(10)17-15/h1-9,17H
InChIKey
MYFYYHNHXXQATJ-UHFFFAOYSA-N
Compound name
11-nitroso-5H-indeno[1,2-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

246.07932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08660 150.5
[M+Na]+ 269.06854 162.1
[M-H]- 245.07204 156.7
[M+NH4]+ 264.11314 171.4
[M+K]+ 285.04248 155.9
[M+H-H2O]+ 229.07658 143.1
[M+HCOO]- 291.07752 174.5
[M+CH3COO]- 305.09317 164.3
[M+Na-2H]- 267.05399 160.8
[M]+ 246.07877 153.1
[M]- 246.07987 153.1
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

No patent data available for this compound.