CID 71490

Fenpiverinium

Structural Information

Molecular Formula
C22H29N2O
SMILES
C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C22H28N2O/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25)/p+1
InChIKey
QDIYJDPBMZUZEH-UHFFFAOYSA-O
Compound name
4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

744
Patents

337.228 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23528 185.1
[M+Na]+ 360.21722 186.4
[M-H]- 336.22072 191.1
[M+NH4]+ 355.26182 197.1
[M+K]+ 376.19116 175.6
[M+H-H2O]+ 320.22526 177.7
[M+HCOO]- 382.22620 200.0
[M+CH3COO]- 396.24185 204.8
[M+Na-2H]- 358.20267 190.6
[M]+ 337.22745 176.9
[M]- 337.22855 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe