CID 3050633

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

Structural Information

Molecular Formula
C15H24N4O
SMILES
CCC1=CC=CC(=C1NC(=O)N=C(N(C)C)N(C)C)C
InChI
InChI=1S/C15H24N4O/c1-7-12-10-8-9-11(2)13(12)16-14(20)17-15(18(3)4)19(5)6/h8-10H,7H2,1-6H3,(H,16,20)
InChIKey
DUWANAUDXQKTRQ-UHFFFAOYSA-N
Compound name
1-[bis(dimethylamino)methylidene]-3-(2-ethyl-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.195 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.202276 170.6
[M+Na]+ 299.184218 175.0
[M-H]- 275.187724 178.3
[M+NH4]+ 294.228823 187.9
[M+K]+ 315.158158 175.8
[M+H-H2O]+ 259.192260 162.1
[M+HCOO]- 321.193201 198.3
[M+CH3COO]- 335.208851 219.9
[M+Na-2H]- 297.169666 171.7
[M]+ 276.19445142 173.2
[M]- 276.19554858 173.2
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.