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

30
Patents

227.04616 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.053436 148.1
[M+Na]+ 250.035378 154.7
[M-H]- 226.038884 151.3
[M+NH4]+ 245.079983 165.7
[M+K]+ 266.009318 151.2
[M+H-H2O]+ 210.043420 142.3
[M+HCOO]- 272.044361 169.4
[M+CH3COO]- 286.060011 193.4
[M+Na-2H]- 248.020826 152.3
[M]+ 227.04561142 147.2
[M]- 227.04670858 147.2
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