CID 44212

Brn 1663810

Structural Information

Molecular Formula
C28H41N3O
SMILES
CC(C)N(CC(CN1CCCCC1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C28H41N3O/c1-22(2)31(23(3)4)21-26(20-30-18-12-7-13-19-30)29-28(32)27(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h5-6,8-11,14-17,22-23,26-27H,7,12-13,18-21H2,1-4H3,(H,29,32)
InChIKey
WMWHIMFMYFZPAH-UHFFFAOYSA-N
Compound name
N-[1-[di(propan-2-yl)amino]-3-piperidin-1-ylpropan-2-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.32495 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.33223 212.0
[M+Na]+ 458.31417 207.6
[M-H]- 434.31767 218.0
[M+NH4]+ 453.35877 218.0
[M+K]+ 474.28811 204.6
[M+H-H2O]+ 418.32221 200.1
[M+HCOO]- 480.32315 225.1
[M+CH3COO]- 494.33880 241.0
[M+Na-2H]- 456.29962 206.9
[M]+ 435.32440 206.8
[M]- 435.32550 206.8
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.