CID 57375851

2h-benzo[h]pyrano[3,2-f]quinoline

Structural Information

Molecular Formula
C16H11NO
SMILES
C1C=CC2=C(O1)C3=CC=CC=C3C4=C2C=CC=N4
InChI
InChI=1S/C16H11NO/c1-2-6-13-11(5-1)15-12(7-3-9-17-15)14-8-4-10-18-16(13)14/h1-9H,10H2
InChIKey
IICXIUXMGJKDNV-UHFFFAOYSA-N
Compound name
3-oxa-12-azatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),5,8(13),9,11,14,16-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09134 147.4
[M+Na]+ 256.07328 157.9
[M-H]- 232.07678 153.3
[M+NH4]+ 251.11788 165.6
[M+K]+ 272.04722 153.4
[M+H-H2O]+ 216.08132 138.8
[M+HCOO]- 278.08226 166.9
[M+CH3COO]- 292.09791 160.6
[M+Na-2H]- 254.05873 160.2
[M]+ 233.08351 149.0
[M]- 233.08461 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

No patent data available for this compound.