CID 4548329

1,1-diethyl-3-(2,4-xylyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 221.164836 152.9
[M+Na]+ 243.146778 159.1
[M-H]- 219.150284 158.0
[M+NH4]+ 238.191383 171.9
[M+K]+ 259.120718 158.0
[M+H-H2O]+ 203.154820 146.0
[M+HCOO]- 265.155761 178.1
[M+CH3COO]- 279.171411 199.7
[M+Na-2H]- 241.132226 156.0
[M]+ 220.15701142 154.7
[M]- 220.15810858 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

literature stripe

Patent stripe

No patent data available for this compound.