CID 3057160

73972-69-7

Structural Information

Molecular Formula
C25H29N3
SMILES
C1C(CN(N1CCNCC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3/c1-4-10-22(11-5-1)18-26-16-17-27-20-25(24-14-8-3-9-15-24)21-28(27)19-23-12-6-2-7-13-23/h1-15,25-26H,16-21H2
InChIKey
BNWOQGKTTWTKKF-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2-benzyl-4-phenylpyrazolidin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.23615 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.24343 191.5
[M+Na]+ 394.22537 194.5
[M-H]- 370.22887 199.9
[M+NH4]+ 389.26997 201.1
[M+K]+ 410.19931 186.7
[M+H-H2O]+ 354.23341 178.9
[M+HCOO]- 416.23435 210.8
[M+CH3COO]- 430.25000 199.4
[M+Na-2H]- 392.21082 192.6
[M]+ 371.23560 187.8
[M]- 371.23670 187.8
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.