CID 724297

127627-28-5

Structural Information

Molecular Formula
C13H12ClN3O
SMILES
CC1=NC(=CC=C1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H12ClN3O/c1-9-4-2-7-12(15-9)17-13(18)16-11-6-3-5-10(14)8-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKey
MEPARACOEVQCIE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(6-methylpyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0669 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07418 157.3
[M+Na]+ 284.05612 165.4
[M-H]- 260.05962 162.9
[M+NH4]+ 279.10072 173.0
[M+K]+ 300.03006 160.1
[M+H-H2O]+ 244.06416 149.6
[M+HCOO]- 306.06510 177.6
[M+CH3COO]- 320.08075 198.3
[M+Na-2H]- 282.04157 163.6
[M]+ 261.06635 158.1
[M]- 261.06745 158.1
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.