CID 135599712

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

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCCO/N=C(\N)/NC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C13H20N4O2/c1-4-8-19-17-12(14)16-13(18)15-11-9(2)6-5-7-10(11)3/h5-7H,4,8H2,1-3H3,(H4,14,15,16,17,18)
InChIKey
FLJCCLDUZMYFHD-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-N'-propoxycarbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 163.1
[M+Na]+ 287.14785 167.8
[M-H]- 263.15135 167.6
[M+NH4]+ 282.19245 179.2
[M+K]+ 303.12179 166.5
[M+H-H2O]+ 247.15589 155.0
[M+HCOO]- 309.15683 190.1
[M+CH3COO]- 323.17248 209.5
[M+Na-2H]- 285.13330 165.8
[M]+ 264.15808 162.8
[M]- 264.15918 162.8
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.