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]+ 298.107376 165.8
[M+Na]+ 320.089318 175.7
[M-H]- 296.092824 172.4
[M+NH4]+ 315.133923 180.5
[M+K]+ 336.063258 172.1
[M+H-H2O]+ 280.097360 158.1
[M+HCOO]- 342.098301 187.5
[M+CH3COO]- 356.113951 199.7
[M+Na-2H]- 318.074766 170.5
[M]+ 297.09955142 171.0
[M]- 297.10064858 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.