CID 3047248

1-ethyl-1-phenylurea

Structural Information

Molecular Formula
C9H12N2O
SMILES
CCN(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C9H12N2O/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)
InChIKey
BSRGHKIDHIAMAS-UHFFFAOYSA-N
Compound name
1-ethyl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

164.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 135.3
[M+Na]+ 187.08418 141.2
[M-H]- 163.08768 139.8
[M+NH4]+ 182.12878 155.5
[M+K]+ 203.05812 140.6
[M+H-H2O]+ 147.09222 128.7
[M+HCOO]- 209.09316 161.2
[M+CH3COO]- 223.10881 185.2
[M+Na-2H]- 185.06963 140.9
[M]+ 164.09441 133.9
[M]- 164.09551 133.9
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