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 171.8
[M+Na]+ 316.09442 184.7
[M-H]- 292.09792 176.0
[M+NH4]+ 311.13902 191.5
[M+K]+ 332.06836 174.6
[M+H-H2O]+ 276.10246 160.4
[M+HCOO]- 338.10340 186.3
[M+CH3COO]- 352.11905 182.3
[M+Na-2H]- 314.07987 169.2
[M]+ 293.10465 169.0
[M]- 293.10575 169.0
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.