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]+ 277.20228 170.6
[M+Na]+ 299.18422 175.0
[M-H]- 275.18772 178.3
[M+NH4]+ 294.22882 187.9
[M+K]+ 315.15816 175.8
[M+H-H2O]+ 259.19226 162.1
[M+HCOO]- 321.19320 198.3
[M+CH3COO]- 335.20885 219.9
[M+Na-2H]- 297.16967 171.7
[M]+ 276.19445 173.2
[M]- 276.19555 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.