CID 2060940

763124-68-1

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c1-16-7-9-17(10-8-16)20-19(23)15-21-11-13-22(14-12-21)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKey
TUYQLDUZTANIGB-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 175.5
[M+Na]+ 332.173318 179.0
[M-H]- 308.176824 181.1
[M+NH4]+ 327.217923 186.2
[M+K]+ 348.147258 173.8
[M+H-H2O]+ 292.181360 164.3
[M+HCOO]- 354.182301 192.8
[M+CH3COO]- 368.197951 184.2
[M+Na-2H]- 330.158766 178.3
[M]+ 309.18355142 170.3
[M]- 309.18464858 170.3
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.