CID 3060081

77694-27-0

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC1(CC(C(=O)O1)NC(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C13H16N2O3/c1-13(2)8-10(11(16)18-13)15-12(17)14-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,14,15,17)
InChIKey
NUKDYDBTMOGFNJ-UHFFFAOYSA-N
Compound name
1-(5,5-dimethyl-2-oxooxolan-3-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.6
[M+Na]+ 271.10531 165.8
[M+NH4]+ 266.14991 164.8
[M+K]+ 287.07925 161.0
[M-H]- 247.10881 160.9
[M+Na-2H]- 269.09076 162.9
[M]+ 248.11554 158.9
[M]- 248.11664 158.9
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.