CID 99418

1-(5-chloropyridin-2-yl)-3-methylurea

Structural Information

Molecular Formula
C7H8ClN3O
SMILES
CNC(=O)NC1=NC=C(C=C1)Cl
InChI
InChI=1S/C7H8ClN3O/c1-9-7(12)11-6-3-2-5(8)4-10-6/h2-4H,1H3,(H2,9,10,11,12)
InChIKey
GRPWTVWAOMIJHR-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.03558 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04286 135.8
[M+Na]+ 208.02480 147.8
[M+NH4]+ 203.06940 143.8
[M+K]+ 223.99874 141.8
[M-H]- 184.02830 138.0
[M+Na-2H]- 206.01025 142.9
[M]+ 185.03503 138.2
[M]- 185.03613 138.2
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

No patent data available for this compound.