CID 231367

(4-acetylphenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 137.1
[M+Na]+ 201.063448 143.8
[M-H]- 177.066954 140.6
[M+NH4]+ 196.108053 156.3
[M+K]+ 217.037388 142.3
[M+H-H2O]+ 161.071490 130.9
[M+HCOO]- 223.072431 162.0
[M+CH3COO]- 237.088081 185.0
[M+Na-2H]- 199.048896 141.6
[M]+ 178.07368142 135.0
[M]- 178.07477858 135.0
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