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]+ 310.19138 175.5
[M+Na]+ 332.17332 179.0
[M-H]- 308.17682 181.1
[M+NH4]+ 327.21792 186.2
[M+K]+ 348.14726 173.8
[M+H-H2O]+ 292.18136 164.3
[M+HCOO]- 354.18230 192.8
[M+CH3COO]- 368.19795 184.2
[M+Na-2H]- 330.15877 178.3
[M]+ 309.18355 170.3
[M]- 309.18465 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.