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]+ 252.05344 155.5
[M+Na]+ 274.03538 165.1
[M-H]- 250.03888 162.0
[M+NH4]+ 269.07998 172.0
[M+K]+ 290.00932 161.5
[M+H-H2O]+ 234.04342 148.5
[M+HCOO]- 296.04436 175.7
[M+CH3COO]- 310.06001 195.6
[M+Na-2H]- 272.02083 159.1
[M]+ 251.04561 157.7
[M]- 251.04671 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.