CID 5080174

1-acetyl-4-(3-chlorophenyl)semicarbazide

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
CC(=O)NNC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H10ClN3O2/c1-6(14)12-13-9(15)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,12,14)(H2,11,13,15)
InChIKey
ZLROJCVFLQMOEV-UHFFFAOYSA-N
Compound name
1-acetamido-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04616 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 147.9
[M+Na]+ 250.03538 157.7
[M+NH4]+ 245.07998 154.8
[M+K]+ 266.00932 152.6
[M-H]- 226.03888 150.0
[M+Na-2H]- 248.02083 153.5
[M]+ 227.04561 149.7
[M]- 227.04671 149.7
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.