CID 3059537

Brn 5599578

Structural Information

Molecular Formula
C16H11NO5
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O
InChI
InChI=1S/C16H11NO5/c18-14(19)9-17-12-7-6-11(8-13(12)22-16(17)21)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey
STYVFAJZYWZCRR-UHFFFAOYSA-N
Compound name
2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07100 162.7
[M+Na]+ 320.05294 172.8
[M-H]- 296.05644 169.7
[M+NH4]+ 315.09754 177.2
[M+K]+ 336.02688 170.1
[M+H-H2O]+ 280.06098 155.3
[M+HCOO]- 342.06192 184.2
[M+CH3COO]- 356.07757 199.2
[M+Na-2H]- 318.03839 167.0
[M]+ 297.06317 167.8
[M]- 297.06427 167.8
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.