CID 5703989

Ns00096645

Structural Information

Molecular Formula

C₁₀H₁₇N₅O₂S

SMILES

CC(C)NC(=O)O/N=C(\CSC1=NC=CN1C)/N

InChI

InChI=1S/C10H17N5O2S/c1-7(2)13-10(16)17-14-8(11)6-18-9-12-4-5-15(9)3/h4-5,7H,6H2,1-3H3,(H2,11,14)(H,13,16)

InChIKey

WRFUKYQLZYMGBE-UHFFFAOYSA-N

Compound name

[(E)-[1-amino-2-(1-methylimidazol-2-yl)sulfanylethylidene]amino] N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 271.1103 Da
Monoisotopic Mass: 0.8
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]+	272.117576	162.2
[M+Na]+	294.099518	167.7
[M-H]-	270.103024	164.3
[M+NH4]+	289.144123	177.7
[M+K]+	310.073458	166.3
[M+H-H2O]+	254.107560	153.6
[M+HCOO]-	316.108501	180.9
[M+CH3COO]-	330.124151	204.4
[M+Na-2H]-	292.084966	161.5
[M]+	271.10975142	164.7
[M]-	271.11084858	164.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.