CID 3049581

Urea, n-(2,6-dimethylphenyl)-n'-(imino(propylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H20N4O
SMILES
CCCN=C(N)NC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C13H20N4O/c1-4-8-15-12(14)17-13(18)16-11-9(2)6-5-7-10(11)3/h5-7H,4,8H2,1-3H3,(H4,14,15,16,17,18)
InChIKey
LRPLRJPBODKRML-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(N'-propylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

248.16371 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 161.0
[M+Na]+ 271.15293 168.9
[M+NH4]+ 266.19753 167.3
[M+K]+ 287.12687 163.7
[M-H]- 247.15643 164.2
[M+Na-2H]- 269.13838 165.5
[M]+ 248.16316 162.5
[M]- 248.16426 162.5
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