CID 3050625

Urea, ((dimethylamino)(methylamino)methylene)(2,6-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H20N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N(C)C
InChI
InChI=1S/C13H20N4O/c1-9-7-6-8-10(2)11(9)15-13(18)16-12(14-3)17(4)5/h6-8H,1-5H3,(H2,14,15,16,18)
InChIKey
WQENXUDRNFNOKP-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(N,N,N'-trimethylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 161.2
[M+Na]+ 271.15293 166.2
[M-H]- 247.15643 167.8
[M+NH4]+ 266.19753 179.0
[M+K]+ 287.12687 166.2
[M+H-H2O]+ 231.16097 153.2
[M+HCOO]- 293.16191 189.0
[M+CH3COO]- 307.17756 210.5
[M+Na-2H]- 269.13838 164.0
[M]+ 248.16316 161.7
[M]- 248.16426 161.7
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