CID 46390

64037-17-8

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H10N2O3/c17-13(18)9-5-1-2-6-10(9)15-14-16-11-7-3-4-8-12(11)19-14/h1-8H,(H,15,16)(H,17,18)
InChIKey
UBBHIBDVUFKRET-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06914 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07642 152.7
[M+Na]+ 277.05836 162.0
[M-H]- 253.06186 159.4
[M+NH4]+ 272.10296 168.7
[M+K]+ 293.03230 159.0
[M+H-H2O]+ 237.06640 145.1
[M+HCOO]- 299.06734 176.2
[M+CH3COO]- 313.08299 165.8
[M+Na-2H]- 275.04381 160.4
[M]+ 254.06859 155.2
[M]- 254.06969 155.2
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.