CID 3021345

N-(2-methoxyphenyl)-5-methyl-3-isoxazolecarboxamide

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CC1=CC(=NO1)C(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C12H12N2O3/c1-8-7-10(14-17-8)12(15)13-9-5-3-4-6-11(9)16-2/h3-7H,1-2H3,(H,13,15)
InChIKey
KQNMGYXVNKWEMQ-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

232.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 149.7
[M+Na]+ 255.07402 158.1
[M-H]- 231.07752 156.5
[M+NH4]+ 250.11862 166.5
[M+K]+ 271.04796 157.1
[M+H-H2O]+ 215.08206 142.1
[M+HCOO]- 277.08300 174.3
[M+CH3COO]- 291.09865 191.3
[M+Na-2H]- 253.05947 155.0
[M]+ 232.08425 153.0
[M]- 232.08535 153.0
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