CID 45129

63905-81-7

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCCCN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-2-3-16-24-17-14-21(15-18-24)26-23(25)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,2-3,14-18H2,1H3
InChIKey
VPDQGZZGJCORQO-UHFFFAOYSA-N
Compound name
(1-butylpiperidin-4-yl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 188.5
[M+Na]+ 374.209038 189.7
[M-H]- 350.212544 194.5
[M+NH4]+ 369.253643 198.7
[M+K]+ 390.182978 185.0
[M+H-H2O]+ 334.217080 177.5
[M+HCOO]- 396.218021 203.9
[M+CH3COO]- 410.233671 213.8
[M+Na-2H]- 372.194486 188.0
[M]+ 351.21927142 185.1
[M]- 351.22036858 185.1
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.