CID 95288

25017-47-4

Structural Information

Molecular Formula
C11H16N2O3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)N)OC
InChI
InChI=1S/C11H16N2O3/c1-15-9-4-3-8(7-10(9)16-2)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)
InChIKey
MDAOEGJTBPQGCB-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

224.11609 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.6
[M+Na]+ 247.10531 156.1
[M-H]- 223.10881 152.9
[M+NH4]+ 242.14991 167.2
[M+K]+ 263.07925 154.9
[M+H-H2O]+ 207.11335 142.7
[M+HCOO]- 269.11429 174.7
[M+CH3COO]- 283.12994 194.5
[M+Na-2H]- 245.09076 153.6
[M]+ 224.11554 151.3
[M]- 224.11664 151.3
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

patents stripe