CID 16778004

N-(3-amino-4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
CC1=C(C=NO1)C(=O)NC2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C11H10ClN3O2/c1-6-8(5-14-17-6)11(16)15-7-2-3-9(12)10(13)4-7/h2-5H,13H2,1H3,(H,15,16)
InChIKey
LQIWWTURENOELP-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04616 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.053436 155.5
[M+Na]+ 274.035378 165.1
[M-H]- 250.038884 162.0
[M+NH4]+ 269.079983 172.0
[M+K]+ 290.009318 161.5
[M+H-H2O]+ 234.043420 148.5
[M+HCOO]- 296.044361 175.7
[M+CH3COO]- 310.060011 195.6
[M+Na-2H]- 272.020826 159.1
[M]+ 251.04561142 157.7
[M]- 251.04670858 157.7
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.