CID 3049601

Urea, n-(2-bromo-6-methylphenyl)-n'-(imino((1-methylethyl)amino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H17BrN4O
SMILES
CC1=C(C(=CC=C1)Br)NC(=O)NC(=NC(C)C)N
InChI
InChI=1S/C12H17BrN4O/c1-7(2)15-11(14)17-12(18)16-10-8(3)5-4-6-9(10)13/h4-7H,1-3H3,(H4,14,15,16,17,18)
InChIKey
OVQCJCDULFEIHK-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-methylphenyl)-3-(N'-propan-2-ylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.05856 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06584 164.1
[M+Na]+ 335.04778 163.0
[M+NH4]+ 330.09238 166.8
[M+K]+ 351.02172 164.6
[M-H]- 311.05128 165.3
[M+Na-2H]- 333.03323 165.3
[M]+ 312.05801 162.6
[M]- 312.05911 162.6
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.