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 165.8
[M+Na]+ 307.10532 173.0
[M-H]- 283.10882 175.2
[M+NH4]+ 302.14992 181.3
[M+K]+ 323.07926 171.8
[M+H-H2O]+ 267.11336 158.6
[M+HCOO]- 329.11430 188.6
[M+CH3COO]- 343.12995 204.7
[M+Na-2H]- 305.09077 171.3
[M]+ 284.11555 167.6
[M]- 284.11665 167.6
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.