CID 980082

N-(4-bromo-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C19H22BrN3O
SMILES
CC1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)Br
InChI
InChI=1S/C19H22BrN3O/c1-15-13-16(7-8-18(15)20)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
XIFBTGCPELTGOH-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-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 184.8
[M+Na]+ 410.08386 191.7
[M-H]- 386.08736 192.9
[M+NH4]+ 405.12846 196.7
[M+K]+ 426.05780 178.8
[M+H-H2O]+ 370.09190 180.7
[M+HCOO]- 432.09284 199.9
[M+CH3COO]- 446.10849 194.9
[M+Na-2H]- 408.06931 187.7
[M]+ 387.09409 199.0
[M]- 387.09519 199.0
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.