CID 3052289

Urea, n-(2,6-dimethylphenyl)-n'-(imino((2-methoxyethyl)amino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC(=NCCOC)N
InChI
InChI=1S/C13H20N4O2/c1-9-5-4-6-10(2)11(9)16-13(18)17-12(14)15-7-8-19-3/h4-6H,7-8H2,1-3H3,(H4,14,15,16,17,18)
InChIKey
HTZBIKBDOLTENM-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[N'-(2-methoxyethyl)carbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.15863 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.165906 163.1
[M+Na]+ 287.147848 167.8
[M-H]- 263.151354 167.6
[M+NH4]+ 282.192453 179.2
[M+K]+ 303.121788 166.5
[M+H-H2O]+ 247.155890 155.0
[M+HCOO]- 309.156831 190.1
[M+CH3COO]- 323.172481 209.5
[M+Na-2H]- 285.133296 165.8
[M]+ 264.15808142 162.8
[M]- 264.15917858 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.