CID 3087376

1-(3-carbamoyl-3,3-diphenylpropyl)-1-ethylpiperidinium bromide

Structural Information

Molecular Formula
C23H31N2O
SMILES
CC[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C23H30N2O/c1-2-25(17-10-5-11-18-25)19-16-23(22(24)26,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3,(H-,24,26)/p+1
InChIKey
VQLXTUYKXWJFEF-UHFFFAOYSA-O
Compound name
4-(1-ethylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.24365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.25093 187.3
[M+Na]+ 374.23287 201.0
[M+NH4]+ 369.27747 197.6
[M+K]+ 390.20681 191.4
[M-H]- 350.23637 194.9
[M+Na-2H]- 372.21832 198.8
[M]+ 351.24310 192.0
[M]- 351.24420 192.0
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.