CID 3043544

55680-85-8

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCOC1=CC=CC=C1N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C17H17NO3/c1-2-21-13-6-4-3-5-12(13)18-16(19)14-10-7-8-11(9-10)15(14)17(18)20/h3-8,10-11,14-15H,2,9H2,1H3
InChIKey
SDBZFUDPHOVZOP-UHFFFAOYSA-N
Compound name
4-(2-ethoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 166.1
[M+Na]+ 306.11007 175.6
[M-H]- 282.11357 173.0
[M+NH4]+ 301.15467 188.9
[M+K]+ 322.08401 171.4
[M+H-H2O]+ 266.11811 161.3
[M+HCOO]- 328.11905 186.5
[M+CH3COO]- 342.13470 178.9
[M+Na-2H]- 304.09552 164.8
[M]+ 283.12030 169.3
[M]- 283.12140 169.3
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.