CID 377007

Nsc658225

Structural Information

Molecular Formula
C26H25N3O
SMILES
CC(=O)N1C(CCN1C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)CC5=CC=CC=C5
InChI
InChI=1S/C26H25N3O/c1-19(30)29-25(16-17-28(29)21-12-6-3-7-13-21)26-23(18-20-10-4-2-5-11-20)22-14-8-9-15-24(22)27-26/h2-15,25,27H,16-18H2,1H3
InChIKey
OYWROJXUKQGJOC-UHFFFAOYSA-N
Compound name
1-[5-(3-benzyl-1H-indol-2-yl)-2-phenylpyrazolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.19977 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20705 197.4
[M+Na]+ 418.18899 204.2
[M-H]- 394.19249 206.3
[M+NH4]+ 413.23359 207.5
[M+K]+ 434.16293 195.7
[M+H-H2O]+ 378.19703 186.1
[M+HCOO]- 440.19797 213.8
[M+CH3COO]- 454.21362 205.8
[M+Na-2H]- 416.17444 194.8
[M]+ 395.19922 195.4
[M]- 395.20032 195.4
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.