CID 118947625

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

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

11
Patents

202.05244 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05972 140.3
[M+Na]+ 225.04166 147.5
[M-H]- 201.04516 141.6
[M+NH4]+ 220.08626 158.4
[M+K]+ 241.01560 146.1
[M+H-H2O]+ 185.04970 132.5
[M+HCOO]- 247.05064 160.4
[M+CH3COO]- 261.06629 184.0
[M+Na-2H]- 223.02711 144.2
[M]+ 202.05189 142.8
[M]- 202.05299 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe