CID 13906

1,1-diethyl-3-phenylurea

Structural Information

Molecular Formula
C11H16N2O
SMILES
CCN(CC)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,12,14)
InChIKey
ZFJBSYYIOPSWAE-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

192.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.4
[M+Na]+ 215.11549 149.5
[M-H]- 191.11899 149.1
[M+NH4]+ 210.16009 163.9
[M+K]+ 231.08943 148.8
[M+H-H2O]+ 175.12353 137.4
[M+HCOO]- 237.12447 170.3
[M+CH3COO]- 251.14012 191.2
[M+Na-2H]- 213.10094 150.0
[M]+ 192.12572 144.7
[M]- 192.12682 144.7
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