CID 3052238

Urea, n-(5-bromo-2,6-dimethylphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H15BrN4O
SMILES
CC1=C(C(=C(C=C1)Br)C)NC(=O)NC(=NC)N
InChI
InChI=1S/C11H15BrN4O/c1-6-4-5-8(12)7(2)9(6)15-11(17)16-10(13)14-3/h4-5H,1-3H3,(H4,13,14,15,16,17)
InChIKey
PEFFLCJOVSZNNA-UHFFFAOYSA-N
Compound name
1-(3-bromo-2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0429 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05018 160.6
[M+Na]+ 321.03212 160.4
[M+NH4]+ 316.07672 163.6
[M+K]+ 337.00606 161.5
[M-H]- 297.03562 162.1
[M+Na-2H]- 319.01757 162.1
[M]+ 298.04235 159.4
[M]- 298.04345 159.4
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.