CID 294198

102434-05-9

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H16N2O3/c1-10-4-3-5-11(2)15(10)18-16(19)17-12-6-7-13-14(8-12)21-9-20-13/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKey
AQNRLAMITQQAKZ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

284.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 166.1
[M+Na]+ 307.10532 178.2
[M+NH4]+ 302.14992 173.9
[M+K]+ 323.07926 174.2
[M-H]- 283.10882 173.5
[M+Na-2H]- 305.09077 171.6
[M]+ 284.11555 169.8
[M]- 284.11665 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.