CID 118947625

Schembl17593403

Structural Information

Molecular Formula

C₆H₁₀N₄O₂S

SMILES

COCCNC(=O)NC1=CN=NS1

InChI

InChI=1S/C6H10N4O2S/c1-12-3-2-7-6(11)9-5-4-8-10-13-5/h4H,2-3H2,1H3,(H2,7,9,11)

InChIKey

CWRKXBLDXDPZHP-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 202.05244 Da
Monoisotopic Mass: -0.4
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]+	203.05972	142.0
[M+Na]+	225.04166	149.5
[M+NH4]+	220.08626	148.3
[M+K]+	241.01560	145.5
[M-H]-	201.04516	141.9
[M+Na-2H]-	223.02711	145.7
[M]+	202.05189	142.9
[M]-	202.05299	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe