CID 135599683

Urea, 3-benzyloxyamidino-1-(2,6-dimethylphenyl)-, hydrochloride

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N/C(=N/OCC2=CC=CC=C2)/N
InChI
InChI=1S/C17H20N4O2/c1-12-7-6-8-13(2)15(12)19-17(22)20-16(18)21-23-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H4,18,19,20,21,22)
InChIKey
FUQOMCGCEXAPLR-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-N'-phenylmethoxycarbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15863 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 174.2
[M+Na]+ 335.14785 178.4
[M-H]- 311.15135 181.6
[M+NH4]+ 330.19245 187.8
[M+K]+ 351.12179 175.6
[M+H-H2O]+ 295.15589 164.7
[M+HCOO]- 357.15683 201.3
[M+CH3COO]- 371.17248 217.3
[M+Na-2H]- 333.13330 177.8
[M]+ 312.15808 173.0
[M]- 312.15918 173.0
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.