CID 9945530

Mmpip

Structural Information

Molecular Formula
C19H15N3O3
SMILES
CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=NC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3
InChIKey
PDWYBOZNEVALOV-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

37
Patents

333.11133 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11861 178.0
[M+Na]+ 356.10055 190.7
[M-H]- 332.10405 187.1
[M+NH4]+ 351.14515 189.3
[M+K]+ 372.07449 185.8
[M+H-H2O]+ 316.10859 167.3
[M+HCOO]- 378.10953 199.4
[M+CH3COO]- 392.12518 190.3
[M+Na-2H]- 354.08600 183.1
[M]+ 333.11078 184.4
[M]- 333.11188 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe