CID 3050639

Urea, n-((allylamino)iminomethyl)-n'-(2,6-diethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H22N4O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NCC=C)N
InChI
InChI=1S/C15H22N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h4,7-9H,1,5-6,10H2,2-3H3,(H4,16,17,18,19,20)
InChIKey
SXAOAMXVWMIDLB-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-3-(N'-prop-2-enylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.17935 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 168.9
[M+Na]+ 297.16857 176.4
[M+NH4]+ 292.21317 174.5
[M+K]+ 313.14251 170.7
[M-H]- 273.17207 171.7
[M+Na-2H]- 295.15402 172.7
[M]+ 274.17880 170.2
[M]- 274.17990 170.2
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.