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 159.9
[M+Na]+ 370.91137 152.6
[M+NH4]+ 365.95597 160.7
[M+K]+ 386.88531 159.6
[M-H]- 346.91487 161.0
[M+Na-2H]- 368.89682 160.3
[M]+ 347.92160 157.8
[M]- 347.92270 157.8
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.