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 153.2
[M+Na]+ 270.08491 160.8
[M-H]- 246.08841 154.8
[M+NH4]+ 265.12951 166.1
[M+K]+ 286.05885 157.4
[M+H-H2O]+ 230.09295 144.6
[M+HCOO]- 292.09389 167.7
[M+CH3COO]- 306.10954 163.7
[M+Na-2H]- 268.07036 157.5
[M]+ 247.09514 150.5
[M]- 247.09624 150.5
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.