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]+ 281.09206 163.5
[M+Na]+ 303.07400 175.5
[M-H]- 279.07750 172.4
[M+NH4]+ 298.11860 172.8
[M+K]+ 319.04794 170.6
[M+H-H2O]+ 263.08204 155.3
[M+HCOO]- 325.08298 184.2
[M+CH3COO]- 339.09863 175.6
[M+Na-2H]- 301.05945 168.4
[M]+ 280.08423 168.9
[M]- 280.08533 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