CID 3312601

5h-indeno[1,2-b]quinolin-10(11h)-one

Structural Information

Molecular Formula
C16H11NO
SMILES
C1C2=CC=CC=C2C3=C1C(=O)C4=CC=CC=C4N3
InChI
InChI=1S/C16H11NO/c18-16-12-7-3-4-8-14(12)17-15-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H,17,18)
InChIKey
VSSBKIZSYSOAIW-UHFFFAOYSA-N
Compound name
5,11-dihydroindeno[1,2-b]quinolin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.08406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.091336 149.0
[M+Na]+ 256.073278 160.1
[M-H]- 232.076784 153.6
[M+NH4]+ 251.117883 170.1
[M+K]+ 272.047218 153.2
[M+H-H2O]+ 216.081320 142.2
[M+HCOO]- 278.082261 169.0
[M+CH3COO]- 292.097911 162.1
[M+Na-2H]- 254.058726 157.1
[M]+ 233.08351142 149.0
[M]- 233.08460858 149.0
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

patents stripe