CID 217692

Brn 1501353

Structural Information

Molecular Formula
C18H17NO4
SMILES
CC(=O)COC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C18H17NO4/c1-10(20)9-23-14-6-4-13(5-7-14)19-17(21)15-11-2-3-12(8-11)16(15)18(19)22/h2-7,11-12,15-16H,8-9H2,1H3
InChIKey
ULLDGUHBHPHDHS-UHFFFAOYSA-N
Compound name
4-[4-(2-oxopropoxy)phenyl]-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

311.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 171.5
[M+Na]+ 334.10497 180.9
[M+NH4]+ 329.14957 179.0
[M+K]+ 350.07891 181.0
[M-H]- 310.10847 172.2
[M+Na-2H]- 332.09042 171.7
[M]+ 311.11520 172.7
[M]- 311.11630 172.7
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.