CID 5007859

763125-97-9

Structural Information

Molecular Formula
C19H22BrN3O
SMILES
CC1=C(C=CC(=C1)Br)NC(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H22BrN3O/c1-15-13-16(20)7-8-18(15)21-19(24)14-22-9-11-23(12-10-22)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKey
WRCFKAYITWJXHT-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.09464 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10192 183.5
[M+Na]+ 410.08386 187.4
[M+NH4]+ 405.12846 187.4
[M+K]+ 426.05780 185.6
[M-H]- 386.08736 187.3
[M+Na-2H]- 408.06931 188.5
[M]+ 387.09409 183.9
[M]- 387.09519 183.9
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.