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 189.5
[M+Na]+ 374.23287 190.4
[M-H]- 350.23637 195.3
[M+NH4]+ 369.27747 200.9
[M+K]+ 390.20681 179.3
[M+H-H2O]+ 334.24091 182.0
[M+HCOO]- 396.24185 204.1
[M+CH3COO]- 410.25750 207.8
[M+Na-2H]- 372.21832 194.5
[M]+ 351.24310 181.7
[M]- 351.24420 181.7
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.