CID 4207409

848247-99-4

Structural Information

Molecular Formula
C17H19BrN4O
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC=CC=N3
InChI
InChI=1S/C17H19BrN4O/c18-14-5-1-2-6-15(14)20-17(23)13-21-9-11-22(12-10-21)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,23)
InChIKey
KWJOJWBRBSATIB-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

374.07422 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08150 178.2
[M+Na]+ 397.06344 185.1
[M-H]- 373.06694 185.0
[M+NH4]+ 392.10804 189.0
[M+K]+ 413.03738 172.4
[M+H-H2O]+ 357.07148 173.8
[M+HCOO]- 419.07242 192.8
[M+CH3COO]- 433.08807 188.2
[M+Na-2H]- 395.04889 183.2
[M]+ 374.07367 191.9
[M]- 374.07477 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.