CID 16356663

1-(4-{2-[5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl]-2-oxoethoxy}phenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C26H25N3O5
SMILES
COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC4=CC=C(C=C4)N5CCCC5=O
InChI
InChI=1S/C26H25N3O5/c1-32-20-10-6-18(7-11-20)22-16-23(24-4-3-15-33-24)29(27-22)26(31)17-34-21-12-8-19(9-13-21)28-14-2-5-25(28)30/h3-4,6-13,15,23H,2,5,14,16-17H2,1H3
InChIKey
WLRFPYYQGDHFJX-UHFFFAOYSA-N
Compound name
1-[4-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1794 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18668 205.3
[M+Na]+ 482.16862 210.4
[M-H]- 458.17212 218.9
[M+NH4]+ 477.21322 212.5
[M+K]+ 498.14256 207.6
[M+H-H2O]+ 442.17666 195.2
[M+HCOO]- 504.17760 222.8
[M+CH3COO]- 518.19325 214.0
[M+Na-2H]- 480.15407 198.2
[M]+ 459.17885 207.8
[M]- 459.17995 207.8
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.