CID 207556

Benzamide, 4-amino-2-chloro-n-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, trihydrochloride

Structural Information

Molecular Formula
C18H22ClN5O
SMILES
C1CN(CCN1CCNC(=O)C2=C(C=C(C=C2)N)Cl)C3=CC=CC=N3
InChI
InChI=1S/C18H22ClN5O/c19-16-13-14(20)4-5-15(16)18(25)22-7-8-23-9-11-24(12-10-23)17-3-1-2-6-21-17/h1-6,13H,7-12,20H2,(H,22,25)
InChIKey
OATFRHHZMGWJIU-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15128 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15856 185.6
[M+Na]+ 382.14050 190.4
[M-H]- 358.14400 189.6
[M+NH4]+ 377.18510 193.5
[M+K]+ 398.11444 183.4
[M+H-H2O]+ 342.14854 174.1
[M+HCOO]- 404.14948 197.8
[M+CH3COO]- 418.16513 193.1
[M+Na-2H]- 380.12595 187.6
[M]+ 359.15073 181.8
[M]- 359.15183 181.8
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.