CID 137965743

2230799-73-0

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₄S

SMILES

CC(C1=NC(=C(S1)N)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H17N3O4S/c1-5(13-10(17)18-11(2,3)4)8-14-6(9(15)16)7(12)19-8/h5H,12H2,1-4H3,(H,13,17)(H,15,16)

InChIKey

UXDCLUIRODGXRY-UHFFFAOYSA-N

Compound name

5-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.09396 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.101236	166.0
[M+Na]+	310.083178	171.6
[M-H]-	286.086684	166.9
[M+NH4]+	305.127783	181.1
[M+K]+	326.057118	170.1
[M+H-H2O]+	270.091220	159.6
[M+HCOO]-	332.092161	180.4
[M+CH3COO]-	346.107811	200.7
[M+Na-2H]-	308.068626	164.0
[M]+	287.09341142	167.9
[M]-	287.09450858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.