CID 126960693

11h-indeno(1,2-b)quinoline n-oxide

Structural Information

Molecular Formula
C16H12NO
SMILES
C1C2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C31)O
InChI
InChI=1S/C16H12NO/c18-17-15-8-4-2-6-12(15)10-13-9-11-5-1-3-7-14(11)16(13)17/h1-8,10,18H,9H2/q+1
InChIKey
SJSLVRRQJZVAHK-UHFFFAOYSA-N
Compound name
5-hydroxy-11H-indeno[1,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09189 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09917 152.2
[M+Na]+ 257.08111 162.6
[M-H]- 233.08461 157.0
[M+NH4]+ 252.12571 172.9
[M+K]+ 273.05505 151.0
[M+H-H2O]+ 217.08915 147.9
[M+HCOO]- 279.09009 171.6
[M+CH3COO]- 293.10574 164.9
[M+Na-2H]- 255.06656 162.5
[M]+ 234.09134 151.7
[M]- 234.09244 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.