CID 3046646

Brn 1663811

Structural Information

Molecular Formula
C28H40N2O2
SMILES
CC(C)N(CC(CN1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C28H40N2O2/c1-22(2)30(23(3)4)21-26(20-29-18-12-7-13-19-29)32-28(31)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
InChIKey
UCKZSXKTCQBLIF-UHFFFAOYSA-N
Compound name
[1-[di(propan-2-yl)amino]-3-piperidin-1-ylpropan-2-yl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.309 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.31628 212.0
[M+Na]+ 459.29822 208.4
[M-H]- 435.30172 218.1
[M+NH4]+ 454.34282 218.3
[M+K]+ 475.27216 205.8
[M+H-H2O]+ 419.30626 200.2
[M+HCOO]- 481.30720 224.2
[M+CH3COO]- 495.32285 238.0
[M+Na-2H]- 457.28367 206.3
[M]+ 436.30845 208.8
[M]- 436.30955 208.8
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.