CID 4868361

2-chloro-n-phenyl-n-[(phenylcarbamoyl)amino]acetamide

Structural Information

Molecular Formula
C15H14ClN3O2
SMILES
C1=CC=C(C=C1)NC(=O)NN(C2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C15H14ClN3O2/c16-11-14(20)19(13-9-5-2-6-10-13)18-15(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21)
InChIKey
MBYYZKVXOFINJG-UHFFFAOYSA-N
Compound name
1-(N-(2-chloroacetyl)anilino)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

303.07745 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08473 168.8
[M+Na]+ 326.06667 173.4
[M-H]- 302.07017 176.3
[M+NH4]+ 321.11127 183.6
[M+K]+ 342.04061 169.8
[M+H-H2O]+ 286.07471 160.7
[M+HCOO]- 348.07565 190.8
[M+CH3COO]- 362.09130 208.6
[M+Na-2H]- 324.05212 173.8
[M]+ 303.07690 169.7
[M]- 303.07800 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.