CID 3059252

1-ethyl-3-methyl-5-(4-(dimethylamino)phenyl)biuret

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCCNC(=O)N(C1=CC=C(C=C1)N(C)C)C(=O)N
InChI
InChI=1S/C13H20N4O2/c1-4-9-15-13(19)17(12(14)18)11-7-5-10(6-8-11)16(2)3/h5-8H,4,9H2,1-3H3,(H2,14,18)(H,15,19)
InChIKey
JNKUBSMNWJYFTK-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-[4-(dimethylamino)phenyl]-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 163.9
[M+Na]+ 287.14785 170.8
[M+NH4]+ 282.19245 169.6
[M+K]+ 303.12179 167.3
[M-H]- 263.15135 166.5
[M+Na-2H]- 285.13330 168.1
[M]+ 264.15808 165.0
[M]- 264.15918 165.0
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.