CID 4463168

N-(4-bromo-3-methylphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C21H26BrN3O
SMILES
CC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Br)C)C
InChI
InChI=1S/C21H26BrN3O/c1-15-4-7-20(17(3)12-15)25-10-8-24(9-11-25)14-21(26)23-18-5-6-19(22)16(2)13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKey
HSOOLXIOSSQRNR-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.12592 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.13320 194.1
[M+Na]+ 438.11514 201.9
[M-H]- 414.11864 202.6
[M+NH4]+ 433.15974 205.5
[M+K]+ 454.08908 188.6
[M+H-H2O]+ 398.12318 189.9
[M+HCOO]- 460.12412 208.5
[M+CH3COO]- 474.13977 224.8
[M+Na-2H]- 436.10059 194.6
[M]+ 415.12537 209.7
[M]- 415.12647 209.7
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.