CID 3052277

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

Structural Information

Molecular Formula
C17H20N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC2=CC=CC=C2)N
InChI
InChI=1S/C17H20N4O/c1-12-7-6-8-13(2)15(12)20-17(22)21-16(18)19-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H4,18,19,20,21,22)
InChIKey
CWDOBLPTLLNIPX-UHFFFAOYSA-N
Compound name
1-(N'-benzylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

296.1637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 173.3
[M+Na]+ 319.15292 183.3
[M+NH4]+ 314.19752 180.1
[M+K]+ 335.12686 176.7
[M-H]- 295.15642 179.2
[M+Na-2H]- 317.13837 180.9
[M]+ 296.16315 176.0
[M]- 296.16425 176.0
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

patents stripe