CID 12115

1-ethyl-3-phenylurea

Structural Information

Molecular Formula
C9H12N2O
SMILES
CCNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H12N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)
InChIKey
XUFXDODGXLVPNJ-UHFFFAOYSA-N
Compound name
1-ethyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

524
Patents

164.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.7
[M+Na]+ 187.08418 140.5
[M-H]- 163.08768 138.3
[M+NH4]+ 182.12878 154.7
[M+K]+ 203.05812 138.9
[M+H-H2O]+ 147.09222 128.3
[M+HCOO]- 209.09316 160.8
[M+CH3COO]- 223.10881 181.7
[M+Na-2H]- 185.06963 142.2
[M]+ 164.09441 133.0
[M]- 164.09551 133.0
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