CID 378986

Nsc662578

Structural Information

Molecular Formula
C17H13NO2
SMILES
CCC1=CC2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32
InChI
InChI=1S/C17H13NO2/c1-2-12-9-14-13-7-10-5-3-4-6-11(10)8-15(13)20-16(14)17(19)18-12/h3-9H,2H2,1H3,(H,18,19)
InChIKey
DQIQNDMRJTXGMP-UHFFFAOYSA-N
Compound name
13-ethyl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(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]+ 264.10192 156.5
[M+Na]+ 286.08386 170.1
[M-H]- 262.08736 162.7
[M+NH4]+ 281.12846 175.6
[M+K]+ 302.05780 164.4
[M+H-H2O]+ 246.09190 149.7
[M+HCOO]- 308.09284 178.2
[M+CH3COO]- 322.10849 170.5
[M+Na-2H]- 284.06931 165.7
[M]+ 263.09409 162.1
[M]- 263.09519 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.