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]+ 372.18373 190.7
[M+Na]+ 394.16567 194.7
[M-H]- 370.16917 196.1
[M+NH4]+ 389.21027 200.0
[M+K]+ 410.13961 188.1
[M+H-H2O]+ 354.17371 179.9
[M+HCOO]- 416.17465 201.7
[M+CH3COO]- 430.19030 219.4
[M+Na-2H]- 392.15112 190.1
[M]+ 371.17590 188.4
[M]- 371.17700 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.