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]+ 282.09068 162.3
[M+Na]+ 304.07262 171.2
[M+NH4]+ 299.11722 168.3
[M+K]+ 320.04656 167.2
[M-H]- 280.07612 164.0
[M+Na-2H]- 302.05807 164.6
[M]+ 281.08285 164.1
[M]- 281.08395 164.1
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.