CID 3071925

139297-40-8

Structural Information

Molecular Formula
C13H13ClN2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)CCl
InChI
InChI=1S/C13H13ClN2O2/c1-8-4-3-5-9(2)12(8)15-13(17)11-6-10(7-14)18-16-11/h3-6H,7H2,1-2H3,(H,15,17)
InChIKey
UFPWFLYHTMTGNJ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N-(2,6-dimethylphenyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07384 159.4
[M+Na]+ 287.05578 169.1
[M-H]- 263.05928 166.1
[M+NH4]+ 282.10038 176.1
[M+K]+ 303.02972 165.5
[M+H-H2O]+ 247.06382 152.5
[M+HCOO]- 309.06476 178.7
[M+CH3COO]- 323.08041 197.1
[M+Na-2H]- 285.04123 162.7
[M]+ 264.06601 164.0
[M]- 264.06711 164.0
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

No patent data available for this compound.