CID 9331

Piritramide

Structural Information

Molecular Formula
C27H34N4O
SMILES
C1CCN(CC1)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKey
IHEHEFLXQFOQJO-UHFFFAOYSA-N
Compound name
1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

346
References

10788
Patents

430.27325 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.280526 210.3
[M+Na]+ 453.262468 212.4
[M-H]- 429.265974 213.8
[M+NH4]+ 448.307073 215.2
[M+K]+ 469.236408 202.5
[M+H-H2O]+ 413.270510 191.3
[M+HCOO]- 475.271451 216.7
[M+CH3COO]- 489.287101 213.0
[M+Na-2H]- 451.247916 209.3
[M]+ 430.27270142 194.8
[M]- 430.27379858 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe