CID 2731519

3-tert-butyl-1-(4-ethoxyphenyl)urea

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCOC1=CC=C(C=C1)NC(=O)NC(C)(C)C
InChI
InChI=1S/C13H20N2O2/c1-5-17-11-8-6-10(7-9-11)14-12(16)15-13(2,3)4/h6-9H,5H2,1-4H3,(H2,14,15,16)
InChIKey
GIFYSRSYORMVRS-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-(4-ethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

236.15248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.2
[M+Na]+ 259.141698 161.6
[M-H]- 235.145204 159.7
[M+NH4]+ 254.186303 173.7
[M+K]+ 275.115638 160.1
[M+H-H2O]+ 219.149740 149.7
[M+HCOO]- 281.150681 179.6
[M+CH3COO]- 295.166331 196.8
[M+Na-2H]- 257.127146 161.6
[M]+ 236.15193142 157.2
[M]- 236.15302858 157.2
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.