CID 16728612

Chembl240260

Structural Information

Molecular Formula
C15H14Br2N4O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N)Br
InChI
InChI=1S/C15H14Br2N4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKey
DHFRDDVNZWBNEH-DNTJNYDQSA-N
Compound name
2-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.95343 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.96071 172.0
[M+Na]+ 446.94265 179.2
[M-H]- 422.94615 181.2
[M+NH4]+ 441.98725 185.8
[M+K]+ 462.91659 162.1
[M+H-H2O]+ 406.95069 174.5
[M+HCOO]- 468.95163 191.1
[M+CH3COO]- 482.96728 230.8
[M+Na-2H]- 444.92810 176.1
[M]+ 423.95288 203.7
[M]- 423.95398 203.7
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.