CID 3049579

Urea, n-(2,6-diethylphenyl)-n'-(imino(methylamino)methyl)-n-propyl-, monohydrochloride

Structural Information

Molecular Formula
C16H26N4O
SMILES
CCCN(C1=C(C=CC=C1CC)CC)C(=O)NC(=NC)N
InChI
InChI=1S/C16H26N4O/c1-5-11-20(16(21)19-15(17)18-4)14-12(6-2)9-8-10-13(14)7-3/h8-10H,5-7,11H2,1-4H3,(H3,17,18,19,21)
InChIKey
VTBVAJMGRQUMPG-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)-1-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.21066 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21794 174.9
[M+Na]+ 313.19988 178.6
[M-H]- 289.20338 180.4
[M+NH4]+ 308.24448 190.7
[M+K]+ 329.17382 177.5
[M+H-H2O]+ 273.20792 166.4
[M+HCOO]- 335.20886 201.1
[M+CH3COO]- 349.22451 219.6
[M+Na-2H]- 311.18533 175.2
[M]+ 290.21011 175.6
[M]- 290.21121 175.6
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