CID 983038

329080-26-4

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H26ClN3O/c1-16(2)17-6-8-19(9-7-17)23-21(26)15-24-10-12-25(13-11-24)20-5-3-4-18(22)14-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)
InChIKey
QPQWEAQWUYNFGB-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17645 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.183726 190.7
[M+Na]+ 394.165668 194.7
[M-H]- 370.169174 196.1
[M+NH4]+ 389.210273 200.0
[M+K]+ 410.139608 188.1
[M+H-H2O]+ 354.173710 179.9
[M+HCOO]- 416.174651 201.7
[M+CH3COO]- 430.190301 219.4
[M+Na-2H]- 392.151116 190.1
[M]+ 371.17590142 188.4
[M]- 371.17699858 188.4
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.