CID 16786537

953733-48-7

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1CC1C2=NC3=C(C(=C2)C(=O)O)C(=NO3)C4=CC=CC=C4
InChI
InChI=1S/C16H12N2O3/c19-16(20)11-8-12(9-6-7-9)17-15-13(11)14(18-21-15)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChIKey
AHZIVNTXLOCTGA-UHFFFAOYSA-N
Compound name
6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 163.5
[M+Na]+ 303.073998 175.5
[M-H]- 279.077504 172.4
[M+NH4]+ 298.118603 172.8
[M+K]+ 319.047938 170.6
[M+H-H2O]+ 263.082040 155.3
[M+HCOO]- 325.082981 184.2
[M+CH3COO]- 339.098631 175.6
[M+Na-2H]- 301.059446 168.4
[M]+ 280.08423142 168.9
[M]- 280.08532858 168.9
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

patents stripe