CID 377006

Nsc658224

Structural Information

Molecular Formula
C25H23N3O
SMILES
CC(=O)N1C(CCN1C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)C5=CC=CC=C5
InChI
InChI=1S/C25H23N3O/c1-18(29)28-23(16-17-27(28)20-12-6-3-7-13-20)25-24(19-10-4-2-5-11-19)21-14-8-9-15-22(21)26-25/h2-15,23,26H,16-17H2,1H3
InChIKey
KJZARKYUBZNZKX-UHFFFAOYSA-N
Compound name
1-[2-phenyl-5-(3-phenyl-1H-indol-2-yl)pyrazolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1841 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19138 193.0
[M+Na]+ 404.17332 200.4
[M-H]- 380.17682 202.1
[M+NH4]+ 399.21792 203.8
[M+K]+ 420.14726 192.1
[M+H-H2O]+ 364.18136 182.0
[M+HCOO]- 426.18230 209.9
[M+CH3COO]- 440.19795 202.0
[M+Na-2H]- 402.15877 191.0
[M]+ 381.18355 190.9
[M]- 381.18465 190.9
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.