CID 980085

882081-14-3

Structural Information

Molecular Formula
C21H24BrN3O
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3Br
InChI
InChI=1S/C21H24BrN3O/c22-19-10-4-5-11-20(19)23-21(26)17-25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2,(H,23,26)/b9-6+
InChIKey
UKXHDCQKBKFOHH-RMKNXTFCSA-N
Compound name
N-(2-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.11026 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11754 192.0
[M+Na]+ 436.09948 197.5
[M-H]- 412.10298 199.4
[M+NH4]+ 431.14408 202.6
[M+K]+ 452.07342 183.7
[M+H-H2O]+ 396.10752 187.5
[M+HCOO]- 458.10846 206.7
[M+CH3COO]- 472.12411 220.1
[M+Na-2H]- 434.08493 194.7
[M]+ 413.10971 205.7
[M]- 413.11081 205.7
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.