CID 3050645

Urea, n-(2,6-dibromophenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H10Br2N4O
SMILES
CN=C(N)NC(=O)NC1=C(C=CC=C1Br)Br
InChI
InChI=1S/C9H10Br2N4O/c1-13-8(12)15-9(16)14-7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKey
PZBKWNVQLLESIV-UHFFFAOYSA-N
Compound name
1-(2,6-dibromophenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.92215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.92943 154.4
[M+Na]+ 370.91137 162.0
[M-H]- 346.91487 160.9
[M+NH4]+ 365.95597 170.4
[M+K]+ 386.88531 145.1
[M+H-H2O]+ 330.91941 157.4
[M+HCOO]- 392.92035 172.5
[M+CH3COO]- 406.93600 217.8
[M+Na-2H]- 368.89682 159.0
[M]+ 347.92160 184.5
[M]- 347.92270 184.5
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.