CID 4797947

1-piperazineacetamide, n-(2,6-dimethylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate(1:2:1)

Structural Information

Molecular Formula
C19H24N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H24N4O/c1-15-6-5-7-16(2)19(15)21-18(24)14-22-10-12-23(13-11-22)17-8-3-4-9-20-17/h3-9H,10-14H2,1-2H3,(H,21,24)
InChIKey
JLGAQXSAVCLCBI-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

324.195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 180.9
[M+Na]+ 347.18422 185.4
[M-H]- 323.18772 185.5
[M+NH4]+ 342.22882 189.9
[M+K]+ 363.15816 179.8
[M+H-H2O]+ 307.19226 169.0
[M+HCOO]- 369.19320 196.8
[M+CH3COO]- 383.20885 189.1
[M+Na-2H]- 345.16967 183.0
[M]+ 324.19445 176.6
[M]- 324.19555 176.6
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

patents stripe