CID 44213

Brn 1664151

Structural Information

Molecular Formula
C27H37N3O
SMILES
C1CCN(CC1)CC(CN2CCCCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H37N3O/c31-27(26(23-13-5-1-6-14-23)24-15-7-2-8-16-24)28-25(21-29-17-9-3-10-18-29)22-30-19-11-4-12-20-30/h1-2,5-8,13-16,25-26H,3-4,9-12,17-22H2,(H,28,31)
InChIKey
KGJOPTUFIOOKOF-UHFFFAOYSA-N
Compound name
N-[1,3-di(piperidin-1-yl)propan-2-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.29367 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.30095 203.9
[M+Na]+ 442.28289 199.2
[M-H]- 418.28639 209.3
[M+NH4]+ 437.32749 208.0
[M+K]+ 458.25683 193.4
[M+H-H2O]+ 402.29093 190.2
[M+HCOO]- 464.29187 213.2
[M+CH3COO]- 478.30752 207.3
[M+Na-2H]- 440.26834 201.3
[M]+ 419.29312 192.2
[M]- 419.29422 192.2
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.