CID 53362457

1-(2,4-dimethoxybenzyl)urea

Structural Information

Molecular Formula
C10H14N2O3
SMILES
COC1=CC(=C(C=C1)CNC(=O)N)OC
InChI
InChI=1S/C10H14N2O3/c1-14-8-4-3-7(6-12-10(11)13)9(5-8)15-2/h3-5H,6H2,1-2H3,(H3,11,12,13)
InChIKey
HNAHGDZAQREPAU-UHFFFAOYSA-N
Compound name
(2,4-dimethoxyphenyl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 145.0
[M+Na]+ 233.089668 152.0
[M-H]- 209.093174 148.5
[M+NH4]+ 228.134273 163.2
[M+K]+ 249.063608 150.9
[M+H-H2O]+ 193.097710 138.3
[M+HCOO]- 255.098651 170.5
[M+CH3COO]- 269.114301 191.4
[M+Na-2H]- 231.075116 149.5
[M]+ 210.09990142 146.4
[M]- 210.10099858 146.4
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