CID 217691

Brn 1492713

Structural Information

Molecular Formula
C18H15NO3
SMILES
C#CCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C18H15NO3/c1-2-9-22-14-7-5-13(6-8-14)19-17(20)15-11-3-4-12(10-11)16(15)18(19)21/h1,3-8,11-12,15-16H,9-10H2
InChIKey
AYWSRQACJRZHIY-UHFFFAOYSA-N
Compound name
4-(4-prop-2-ynoxyphenyl)-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

293.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 168.5
[M+Na]+ 316.09442 179.0
[M+NH4]+ 311.13902 173.2
[M+K]+ 332.06836 174.0
[M-H]- 292.09792 161.9
[M+Na-2H]- 314.07987 166.9
[M]+ 293.10465 167.2
[M]- 293.10575 167.2
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.