CID 378992

Nsc662584

Structural Information

Molecular Formula
C17H13NO2
SMILES
CCC1=CC2=C(C(=O)N1)OC3=C2C=CC4=CC=CC=C43
InChI
InChI=1S/C17H13NO2/c1-2-11-9-14-13-8-7-10-5-3-4-6-12(10)15(13)20-16(14)17(19)18-11/h3-9H,2H2,1H3,(H,18,19)
InChIKey
JQJGIQWPBDYABK-UHFFFAOYSA-N
Compound name
13-ethyl-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12-heptaen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 156.5
[M+Na]+ 286.083858 170.1
[M-H]- 262.087364 162.7
[M+NH4]+ 281.128463 175.6
[M+K]+ 302.057798 164.4
[M+H-H2O]+ 246.091900 149.7
[M+HCOO]- 308.092841 178.2
[M+CH3COO]- 322.108491 170.5
[M+Na-2H]- 284.069306 165.7
[M]+ 263.09409142 162.1
[M]- 263.09518858 162.1
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.