CID 9799308

Ac-90179

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC1=CC=C(C=C1)CN(C2CCN(CC2)C)C(=O)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3
InChIKey
AHGNJBSTWQOSAB-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

198
Patents

366.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.0
[M+Na]+ 389.219958 194.6
[M-H]- 365.223464 200.1
[M+NH4]+ 384.264563 202.6
[M+K]+ 405.193898 190.9
[M+H-H2O]+ 349.228000 180.8
[M+HCOO]- 411.228941 210.0
[M+CH3COO]- 425.244591 223.6
[M+Na-2H]- 387.205406 191.1
[M]+ 366.23019142 190.7
[M]- 366.23128858 190.7
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