CID 3042962

Jpb 65

Structural Information

Molecular Formula
C17H15NO4
SMILES
COC1=CC=CC(=C1)CCC(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C17H15NO4/c1-21-13-4-2-3-11(9-13)5-8-15(19)12-6-7-14-16(10-12)22-17(20)18-14/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,20)
InChIKey
BPVRTDZLSWXXPC-UHFFFAOYSA-N
Compound name
6-[3-(3-methoxyphenyl)propanoyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1001 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 165.8
[M+Na]+ 320.08932 175.7
[M-H]- 296.09282 172.4
[M+NH4]+ 315.13392 180.5
[M+K]+ 336.06326 172.1
[M+H-H2O]+ 280.09736 158.1
[M+HCOO]- 342.09830 187.5
[M+CH3COO]- 356.11395 199.7
[M+Na-2H]- 318.07477 170.5
[M]+ 297.09955 171.0
[M]- 297.10065 171.0
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.