CID 219020

4-(n-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine

Structural Information

Molecular Formula
C26H35N3O2
SMILES
CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3)C
InChI
InChI=1S/C26H35N3O2/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30)
InChIKey
BESKMDLUOAVUJF-UHFFFAOYSA-N
Compound name
N-[2,6-dimethyl-4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

146
Patents

421.27292 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.280196 207.7
[M+Na]+ 444.262138 209.1
[M-H]- 420.265644 215.7
[M+NH4]+ 439.306743 215.8
[M+K]+ 460.236078 205.0
[M+H-H2O]+ 404.270180 196.3
[M+HCOO]- 466.271121 224.9
[M+CH3COO]- 480.286771 238.4
[M+Na-2H]- 442.247586 204.1
[M]+ 421.27237142 205.9
[M]- 421.27346858 205.9
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