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 148.5
[M+Na]+ 227.07909 156.2
[M-H]- 203.08259 151.3
[M+NH4]+ 222.12369 165.0
[M+K]+ 243.05303 154.0
[M+H-H2O]+ 187.08713 135.4
[M+HCOO]- 249.08807 168.4
[M+CH3COO]- 263.10372 198.7
[M+Na-2H]- 225.06454 152.7
[M]+ 204.08932 143.8
[M]- 204.09042 143.8
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.