CID 4322740

477333-96-3

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
CC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)C)Cl)C
InChI
InChI=1S/C21H26ClN3O/c1-15-4-7-20(17(3)12-15)25-10-8-24(9-11-25)14-21(26)23-18-6-5-16(2)19(22)13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKey
YNFXBVBFQDBFLS-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]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 192.2
[M+Na]+ 394.16567 198.4
[M-H]- 370.16917 198.4
[M+NH4]+ 389.21027 202.2
[M+K]+ 410.13961 191.4
[M+H-H2O]+ 354.17371 181.7
[M+HCOO]- 416.17465 204.2
[M+CH3COO]- 430.19030 221.0
[M+Na-2H]- 392.15112 191.1
[M]+ 371.17590 191.3
[M]- 371.17700 191.3
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.