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]+ 234.091336 147.4
[M+Na]+ 256.073278 157.9
[M-H]- 232.076784 153.3
[M+NH4]+ 251.117883 165.6
[M+K]+ 272.047218 153.4
[M+H-H2O]+ 216.081320 138.8
[M+HCOO]- 278.082261 166.9
[M+CH3COO]- 292.097911 160.6
[M+Na-2H]- 254.058726 160.2
[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

No patent data available for this compound.