CID 3049589

Urea, 1-allylamidino-3-(2,6-xylyl)-, hydrochloride

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC=C)N
InChI
InChI=1S/C13H18N4O/c1-4-8-15-12(14)17-13(18)16-11-9(2)6-5-7-10(11)3/h4-7H,1,8H2,2-3H3,(H4,14,15,16,17,18)
InChIKey
XRZUDHKSHWAGHY-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(N'-prop-2-enylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14806 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 160.1
[M+Na]+ 269.13728 168.1
[M+NH4]+ 264.18188 166.1
[M+K]+ 285.11122 162.8
[M-H]- 245.14078 163.0
[M+Na-2H]- 267.12273 164.5
[M]+ 246.14751 161.5
[M]- 246.14861 161.5
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.