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 159.4
[M+Na]+ 269.13728 164.5
[M-H]- 245.14078 163.9
[M+NH4]+ 264.18188 176.2
[M+K]+ 285.11122 162.0
[M+H-H2O]+ 229.14532 151.6
[M+HCOO]- 291.14626 186.3
[M+CH3COO]- 305.16191 206.4
[M+Na-2H]- 267.12273 162.0
[M]+ 246.14751 157.0
[M]- 246.14861 157.0
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.