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]+ 285.123376 165.8
[M+Na]+ 307.105318 173.0
[M-H]- 283.108824 175.2
[M+NH4]+ 302.149923 181.3
[M+K]+ 323.079258 171.8
[M+H-H2O]+ 267.113360 158.6
[M+HCOO]- 329.114301 188.6
[M+CH3COO]- 343.129951 204.7
[M+Na-2H]- 305.090766 171.3
[M]+ 284.11555142 167.6
[M]- 284.11664858 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.