CID 207560

Benzamide, 3-amino-n-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C18H23N5O
SMILES
C1CN(CCN1CCNC(=O)C2=CC(=CC=C2)N)C3=CC=CC=N3
InChI
InChI=1S/C18H23N5O/c19-16-5-3-4-15(14-16)18(24)21-8-9-22-10-12-23(13-11-22)17-6-1-2-7-20-17/h1-7,14H,8-13,19H2,(H,21,24)
InChIKey
HAJZTPBEPYNIRO-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19025 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19753 178.4
[M+Na]+ 348.17947 181.5
[M-H]- 324.18297 182.3
[M+NH4]+ 343.22407 186.4
[M+K]+ 364.15341 175.9
[M+H-H2O]+ 308.18751 166.4
[M+HCOO]- 370.18845 195.2
[M+CH3COO]- 384.20410 186.0
[M+Na-2H]- 346.16492 181.7
[M]+ 325.18970 171.9
[M]- 325.19080 171.9
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

patents stripe