CID 3042964

Jpb 67

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1=CC=C(C=C1)CCCCC(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C18H17NO3/c20-16(9-5-4-8-13-6-2-1-3-7-13)14-10-11-15-17(12-14)22-18(21)19-15/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,21)
InChIKey
SZMVFOUTZQQOLU-UHFFFAOYSA-N
Compound name
6-(5-phenylpentanoyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.5
[M+Na]+ 318.11007 182.2
[M+NH4]+ 313.15467 174.9
[M+K]+ 334.08401 176.5
[M-H]- 294.11357 171.9
[M+Na-2H]- 316.09552 174.6
[M]+ 295.12030 170.9
[M]- 295.12140 170.9
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.