CID 165906023

3-methyl-1-phenyl-3-(prop-2-yn-1-yloxy)urea

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CN(C(=O)NC1=CC=CC=C1)OCC#C
InChI
InChI=1S/C11H12N2O2/c1-3-9-15-13(2)11(14)12-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3,(H,12,14)
InChIKey
CXSJDWWAFALWCH-UHFFFAOYSA-N
Compound name
1-methyl-3-phenyl-1-prop-2-ynoxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 148.7
[M+Na]+ 227.07909 158.7
[M+NH4]+ 222.12369 152.5
[M+K]+ 243.05303 150.1
[M-H]- 203.08259 143.0
[M+Na-2H]- 225.06454 151.8
[M]+ 204.08932 147.4
[M]- 204.09042 147.4
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

No patent data available for this compound.