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]+ 250.154996 159.8
[M+Na]+ 272.136938 163.1
[M-H]- 248.140444 164.1
[M+NH4]+ 267.181543 176.3
[M+K]+ 288.110878 162.5
[M+H-H2O]+ 232.144980 151.7
[M+HCOO]- 294.145921 185.4
[M+CH3COO]- 308.161571 203.8
[M+Na-2H]- 270.122386 163.4
[M]+ 249.14717142 160.0
[M]- 249.14826858 160.0
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.