CID 3091007

Stl045095

Structural Information

Molecular Formula
C29H19Br2N3O3
SMILES
C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5Br)C6=CC=CO6
InChI
InChI=1S/C29H19Br2N3O3/c30-18-12-13-22-20(15-18)26(17-7-2-1-3-8-17)27(28(35)32-22)23-16-24(25-11-6-14-37-25)34(33-23)29(36)19-9-4-5-10-21(19)31/h1-15,24H,16H2,(H,32,35)
InChIKey
QCWDMJBSHYQNKM-UHFFFAOYSA-N
Compound name
6-bromo-3-[2-(2-bromobenzoyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.9793 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.98658 218.4
[M+Na]+ 637.96852 227.1
[M-H]- 613.97202 232.4
[M+NH4]+ 633.01312 225.3
[M+K]+ 653.94246 214.7
[M+H-H2O]+ 597.97656 224.9
[M+HCOO]- 659.97750 229.2
[M+CH3COO]- 673.99315 227.3
[M+Na-2H]- 635.95397 216.5
[M]+ 614.97875 252.4
[M]- 614.97985 252.4
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.