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]+ 284.128126 166.1
[M+Na]+ 306.110068 175.6
[M-H]- 282.113574 173.0
[M+NH4]+ 301.154673 188.9
[M+K]+ 322.084008 171.4
[M+H-H2O]+ 266.118110 161.3
[M+HCOO]- 328.119051 186.5
[M+CH3COO]- 342.134701 178.9
[M+Na-2H]- 304.095516 164.8
[M]+ 283.12030142 169.3
[M]- 283.12139858 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.