CID 3298347

3-(2,5-dimethoxyphenyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CN(C)C(=O)NC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C11H16N2O3/c1-13(2)11(14)12-9-7-8(15-3)5-6-10(9)16-4/h5-7H,1-4H3,(H,12,14)
InChIKey
OYKNVSADNKVCMH-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxyphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.4
[M+Na]+ 247.10531 156.3
[M-H]- 223.10881 154.9
[M+NH4]+ 242.14991 168.1
[M+K]+ 263.07925 156.8
[M+H-H2O]+ 207.11335 142.5
[M+HCOO]- 269.11429 175.8
[M+CH3COO]- 283.12994 197.8
[M+Na-2H]- 245.09076 153.7
[M]+ 224.11554 153.4
[M]- 224.11664 153.4
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

patents stripe