CID 339866

Nsc368137

Structural Information

Molecular Formula

C₁₇H₂₇N₃O₄S

SMILES

CC1=C(C(=C2N1CSC2)COC(=O)NC(C)C)COC(=O)NC(C)C

InChI

InChI=1S/C17H27N3O4S/c1-10(2)18-16(21)23-6-13-12(5)20-9-25-8-15(20)14(13)7-24-17(22)19-11(3)4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)

InChIKey

KIDAKRLMYQYVON-UHFFFAOYSA-N

Compound name

[5-methyl-7-(propan-2-ylcarbamoyloxymethyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-6-yl]methyl N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 369.17224 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]+	370.179516	191.1
[M+Na]+	392.161458	195.1
[M-H]-	368.164964	194.1
[M+NH4]+	387.206063	206.9
[M+K]+	408.135398	194.0
[M+H-H2O]+	352.169500	184.9
[M+HCOO]-	414.170441	205.4
[M+CH3COO]-	428.186091	220.4
[M+Na-2H]-	390.146906	185.6
[M]+	369.17169142	197.0
[M]-	369.17278858	197.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.