CID 9571579

Nsc683856

Structural Information

Molecular Formula
C15H12Br2N4O
SMILES
C1=CC(=CC=C1/C=N/NC(=O)N/N=C/C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+
InChIKey
HOVJSLVQBXFGGS-VNIJRHKQSA-N
Compound name
1,3-bis[(E)-(4-bromophenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.9378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.94508 168.8
[M+Na]+ 444.92702 175.8
[M-H]- 420.93052 178.6
[M+NH4]+ 439.97162 182.9
[M+K]+ 460.90096 158.9
[M+H-H2O]+ 404.93506 171.6
[M+HCOO]- 466.93600 189.1
[M+CH3COO]- 480.95165 229.1
[M+Na-2H]- 442.91247 175.3
[M]+ 421.93725 201.2
[M]- 421.93835 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.