CID 66877

N-acetyl-n'-phenylurea

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC(=O)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H10N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)
InChIKey
RUPVBKFFZNPEPS-UHFFFAOYSA-N
Compound name
N-(phenylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

178.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 137.4
[M+Na]+ 201.063448 143.2
[M-H]- 177.066954 141.1
[M+NH4]+ 196.108053 156.6
[M+K]+ 217.037388 142.1
[M+H-H2O]+ 161.071490 130.9
[M+HCOO]- 223.072431 162.9
[M+CH3COO]- 237.088081 183.1
[M+Na-2H]- 199.048896 143.6
[M]+ 178.07368142 135.7
[M]- 178.07477858 135.7
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

patents stripe