CID 135599677

Urea, 1-(2-bromo-6-methylphenyl)-3-ethylamidino-, hydrochloride

Structural Information

Molecular Formula
C11H15BrN4O
SMILES
CCN/N=C/NC(=O)NC1=C(C=CC=C1Br)C
InChI
InChI=1S/C11H15BrN4O/c1-3-14-15-7-13-11(17)16-10-8(2)5-4-6-9(10)12/h4-7,14H,3H2,1-2H3,(H2,13,15,16,17)
InChIKey
NKXZDTVDAZIXCL-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-methylphenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0429 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05018 157.6
[M+Na]+ 321.03212 165.9
[M-H]- 297.03562 164.6
[M+NH4]+ 316.07672 175.8
[M+K]+ 337.00606 154.1
[M+H-H2O]+ 281.04016 153.8
[M+HCOO]- 343.04110 183.2
[M+CH3COO]- 357.05675 210.1
[M+Na-2H]- 319.01757 164.2
[M]+ 298.04235 174.9
[M]- 298.04345 174.9
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.