CID 9570790

Brn 0445348

Structural Information

Molecular Formula
C21H14BrN3O2
SMILES
C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)Br)/C=N/NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C21H14BrN3O2/c22-16-6-7-18-17(12-16)20(14-4-2-1-3-5-14)19(27-18)13-24-25-21(26)15-8-10-23-11-9-15/h1-13H,(H,25,26)/b24-13+
InChIKey
SNSBGOVABGMKMH-ZMOGYAJESA-N
Compound name
N-[(E)-(5-bromo-3-phenyl-1-benzofuran-2-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.02695 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.03423 192.0
[M+Na]+ 442.01617 202.7
[M-H]- 418.01967 205.7
[M+NH4]+ 437.06077 205.7
[M+K]+ 457.99011 191.2
[M+H-H2O]+ 402.02421 188.3
[M+HCOO]- 464.02515 215.3
[M+CH3COO]- 478.04080 204.7
[M+Na-2H]- 440.00162 198.7
[M]+ 419.02640 213.3
[M]- 419.02750 213.3
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.