CID 117273569

1897015-93-8

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C1CN(CCN1)C2=NC3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C12H13N3O3/c16-11(17)8-1-2-10-9(7-8)14-12(18-10)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2,(H,16,17)
InChIKey
WKHJLXLYVYTHGS-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 154.0
[M+Na]+ 270.08491 166.0
[M+NH4]+ 265.12951 160.3
[M+K]+ 286.05885 163.4
[M-H]- 246.08841 155.9
[M+Na-2H]- 268.07036 158.4
[M]+ 247.09514 155.9
[M]- 247.09624 155.9
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.