CID 3050629

Urea, (bis(methylamino)methylene)(2-ethyl-6-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H20N4O
SMILES
CCC1=CC=CC(=C1NC(=O)NC(=NC)NC)C
InChI
InChI=1S/C13H20N4O/c1-5-10-8-6-7-9(2)11(10)16-13(18)17-12(14-3)15-4/h6-8H,5H2,1-4H3,(H3,14,15,16,17,18)
InChIKey
LOUHSLQNVJPYQR-UHFFFAOYSA-N
Compound name
1-(N,N'-dimethylcarbamimidoyl)-3-(2-ethyl-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.16371 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 160.6
[M+Na]+ 271.15293 165.5
[M-H]- 247.15643 165.7
[M+NH4]+ 266.19753 177.8
[M+K]+ 287.12687 164.0
[M+H-H2O]+ 231.16097 152.8
[M+HCOO]- 293.16191 188.0
[M+CH3COO]- 307.17756 207.1
[M+Na-2H]- 269.13838 164.2
[M]+ 248.16316 159.9
[M]- 248.16426 159.9
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