CID 4120442

N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C20H24BrN3O
SMILES
CC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Br)C
InChI
InChI=1S/C20H24BrN3O/c1-15-7-8-19(16(2)13-15)24-11-9-23(10-12-24)14-20(25)22-18-6-4-3-5-17(18)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKey
ONRMMYWSCPMSGV-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.11026 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11754 189.5
[M+Na]+ 424.09948 196.9
[M-H]- 400.10298 197.8
[M+NH4]+ 419.14408 201.1
[M+K]+ 440.07342 183.8
[M+H-H2O]+ 384.10752 185.4
[M+HCOO]- 446.10846 204.2
[M+CH3COO]- 460.12411 220.9
[M+Na-2H]- 422.08493 191.2
[M]+ 401.10971 204.4
[M]- 401.11081 204.4
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.