CID 9658294

303083-34-3

Structural Information

Molecular Formula
C12H9Br2N3O2
SMILES
C1=COC(=C1)/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N
InChI
InChI=1S/C12H9Br2N3O2/c13-7-4-9(11(15)10(14)5-7)12(18)17-16-6-8-2-1-3-19-8/h1-6H,15H2,(H,17,18)/b16-6+
InChIKey
ZVRSJHNTFYOUOM-OMCISZLKSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-furan-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.90616 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.91344 167.1
[M+Na]+ 407.89538 176.1
[M-H]- 383.89888 177.0
[M+NH4]+ 402.93998 182.8
[M+K]+ 423.86932 160.6
[M+H-H2O]+ 367.90342 171.3
[M+HCOO]- 429.90436 185.9
[M+CH3COO]- 443.92001 220.3
[M+Na-2H]- 405.88083 171.3
[M]+ 384.90561 200.3
[M]- 384.90671 200.3
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

No patent data available for this compound.