CID 118947625

Refchem:422363

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: 14
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]+	203.059716	140.3
[M+Na]+	225.041658	147.5
[M-H]-	201.045164	141.6
[M+NH4]+	220.086263	158.4
[M+K]+	241.015598	146.1
[M+H-H2O]+	185.049700	132.5
[M+HCOO]-	247.050641	160.4
[M+CH3COO]-	261.066291	184.0
[M+Na-2H]-	223.027106	144.2
[M]+	202.05189142	142.8
[M]-	202.05298858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe