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]+ 205.097146 148.5
[M+Na]+ 227.079088 156.2
[M-H]- 203.082594 151.3
[M+NH4]+ 222.123693 165.0
[M+K]+ 243.053028 154.0
[M+H-H2O]+ 187.087130 135.4
[M+HCOO]- 249.088071 168.4
[M+CH3COO]- 263.103721 198.7
[M+Na-2H]- 225.064536 152.7
[M]+ 204.08932142 143.8
[M]- 204.09041858 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.