CID 4176898

1,1-diethyl-3-(2,3-xylyl)urea

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCN(CC)C(=O)NC1=CC=CC(=C1C)C
InChI
InChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-9-7-8-10(3)11(12)4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKey
SXIGTWLFZIKOMH-UHFFFAOYSA-N
Compound name
3-(2,3-dimethylphenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 153.2
[M+Na]+ 243.14678 164.0
[M+NH4]+ 238.19138 161.0
[M+K]+ 259.12072 157.8
[M-H]- 219.15028 156.4
[M+Na-2H]- 241.13223 159.1
[M]+ 220.15701 155.4
[M]- 220.15811 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe