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]+ 265.073836 159.4
[M+Na]+ 287.055778 169.1
[M-H]- 263.059284 166.1
[M+NH4]+ 282.100383 176.1
[M+K]+ 303.029718 165.5
[M+H-H2O]+ 247.063820 152.5
[M+HCOO]- 309.064761 178.7
[M+CH3COO]- 323.080411 197.1
[M+Na-2H]- 285.041226 162.7
[M]+ 264.06601142 164.0
[M]- 264.06710858 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.