CID 3073016

145440-95-5

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=C(C(=CC=C1)N)NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C12H13N3O2/c1-7-4-3-5-9(13)11(7)14-12(16)10-6-8(2)17-15-10/h3-6H,13H2,1-2H3,(H,14,16)
InChIKey
ZLIYHUBWUUXMCA-UHFFFAOYSA-N
Compound name
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 152.0
[M+Na]+ 254.08999 160.5
[M-H]- 230.09349 158.6
[M+NH4]+ 249.13459 168.5
[M+K]+ 270.06393 158.5
[M+H-H2O]+ 214.09803 144.3
[M+HCOO]- 276.09897 176.6
[M+CH3COO]- 290.11462 194.9
[M+Na-2H]- 252.07544 155.8
[M]+ 231.10022 152.5
[M]- 231.10132 152.5
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.