CID 219020

Refchem:202426

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

49
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 207.7
[M+Na]+ 444.26214 209.1
[M-H]- 420.26564 215.7
[M+NH4]+ 439.30674 215.8
[M+K]+ 460.23608 205.0
[M+H-H2O]+ 404.27018 196.3
[M+HCOO]- 466.27112 224.9
[M+CH3COO]- 480.28677 238.4
[M+Na-2H]- 442.24759 204.1
[M]+ 421.27237 205.9
[M]- 421.27347 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.