CID 5201333

1,1-diethyl-3-(2,5-xylyl)urea

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCN(CC)C(=O)NC1=C(C=CC(=C1)C)C
InChI
InChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-9-10(3)7-8-11(12)4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKey
XVLRZQKDZBBBAT-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 152.9
[M+Na]+ 243.14678 159.1
[M-H]- 219.15028 158.0
[M+NH4]+ 238.19138 171.9
[M+K]+ 259.12072 158.0
[M+H-H2O]+ 203.15482 146.0
[M+HCOO]- 265.15576 178.1
[M+CH3COO]- 279.17141 199.7
[M+Na-2H]- 241.13223 156.0
[M]+ 220.15701 154.7
[M]- 220.15811 154.7
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

No patent data available for this compound.