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]+ 228.053436 148.3
[M+Na]+ 250.035378 155.1
[M-H]- 226.038884 152.2
[M+NH4]+ 245.079983 166.5
[M+K]+ 266.009318 152.0
[M+H-H2O]+ 210.043420 142.6
[M+HCOO]- 272.044361 170.4
[M+CH3COO]- 286.060011 192.7
[M+Na-2H]- 248.020826 153.6
[M]+ 227.04561142 148.3
[M]- 227.04670858 148.3
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.