CID 361384

Nsc624408

Structural Information

Molecular Formula
C24H15BrN2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C4=CN(N=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H15BrN2O2/c25-18-11-12-21-20(13-18)22(24(29-21)23(28)16-7-3-1-4-8-16)17-14-26-27(15-17)19-9-5-2-6-10-19/h1-15H
InChIKey
MJQZDXGASZVADF-UHFFFAOYSA-N
Compound name
[5-bromo-3-(1-phenylpyrazol-4-yl)-1-benzofuran-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.03168 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.03896 200.8
[M+Na]+ 465.02090 213.0
[M-H]- 441.02440 215.9
[M+NH4]+ 460.06550 214.0
[M+K]+ 480.99484 201.9
[M+H-H2O]+ 425.02894 198.6
[M+HCOO]- 487.02988 220.4
[M+CH3COO]- 501.04553 213.3
[M+Na-2H]- 463.00635 202.4
[M]+ 442.03113 222.5
[M]- 442.03223 222.5
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.