CID 4170661

2-(((4-chloroanilino)carbonyl)amino)acetamide

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
C1=CC(=CC=C1NC(=O)NCC(=O)N)Cl
InChI
InChI=1S/C9H10ClN3O2/c10-6-1-3-7(4-2-6)13-9(15)12-5-8(11)14/h1-4H,5H2,(H2,11,14)(H2,12,13,15)
InChIKey
SBUMGSDTWKOTDQ-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)carbamoylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

227.04616 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 147.6
[M+Na]+ 250.03538 157.0
[M+NH4]+ 245.07998 154.3
[M+K]+ 266.00932 152.1
[M-H]- 226.03888 149.5
[M+Na-2H]- 248.02083 152.7
[M]+ 227.04561 149.2
[M]- 227.04671 149.2
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

patents stripe