CID 50988602

2-amino-4-(methylsulfanyl)-n-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)butanamide hydrochloride

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
CSCCC(C(=O)NC1=CC2=C(C=C1)OC(=O)N2)N
InChI
InChI=1S/C12H15N3O3S/c1-19-5-4-8(13)11(16)14-7-2-3-10-9(6-7)15-12(17)18-10/h2-3,6,8H,4-5,13H2,1H3,(H,14,16)(H,15,17)
InChIKey
OTOBFQAMYUYEGV-UHFFFAOYSA-N
Compound name
2-amino-4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0834 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.090676 161.7
[M+Na]+ 304.072618 169.8
[M-H]- 280.076124 164.4
[M+NH4]+ 299.117223 177.1
[M+K]+ 320.046558 166.4
[M+H-H2O]+ 264.080660 155.1
[M+HCOO]- 326.081601 178.8
[M+CH3COO]- 340.097251 199.0
[M+Na-2H]- 302.058066 164.0
[M]+ 281.08285142 165.1
[M]- 281.08394858 165.1
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.