CID 3052245

Urea, n-(aminoiminomethyl)-n'-(2,6-dibromophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C8H8Br2N4O
SMILES
C1=CC(=C(C(=C1)Br)NC(=O)N=C(N)N)Br
InChI
InChI=1S/C8H8Br2N4O/c9-4-2-1-3-5(10)6(4)13-8(15)14-7(11)12/h1-3H,(H5,11,12,13,14,15)
InChIKey
PSHONDXYBGKITH-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2,6-dibromophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

333.9065 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.91378 151.2
[M+Na]+ 356.89572 159.0
[M-H]- 332.89922 157.4
[M+NH4]+ 351.94032 167.3
[M+K]+ 372.86966 142.0
[M+H-H2O]+ 316.90376 154.2
[M+HCOO]- 378.90470 169.0
[M+CH3COO]- 392.92035 215.7
[M+Na-2H]- 354.88117 155.3
[M]+ 333.90595 180.3
[M]- 333.90705 180.3
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

patents stripe