CID 8900799

1-{2-[benzyl(methyl)amino]acetyl}-3-ethylurea

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CCNC(=O)NC(=O)CN(C)CC1=CC=CC=C1
InChI
InChI=1S/C13H19N3O2/c1-3-14-13(18)15-12(17)10-16(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H2,14,15,17,18)
InChIKey
LKQHDGWEUIDOJA-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 160.1
[M+Na]+ 272.13694 168.0
[M+NH4]+ 267.18154 166.3
[M+K]+ 288.11088 163.1
[M-H]- 248.14044 162.3
[M+Na-2H]- 270.12239 165.1
[M]+ 249.14717 161.3
[M]- 249.14827 161.3
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

No patent data available for this compound.