CID 219020

Opc-28326

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
3
Annotation Hits

9
References

86
Patents

421.27292 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.28020 207.8
[M+Na]+ 444.26214 218.7
[M+NH4]+ 439.30674 213.8
[M+K]+ 460.23608 211.3
[M-H]- 420.26564 214.0
[M+Na-2H]- 442.24759 214.4
[M]+ 421.27237 210.9
[M]- 421.27347 210.9
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