CID 198092

30194-63-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 179.1
[M+Na]+ 348.17947 190.8
[M+NH4]+ 343.22407 185.3
[M+K]+ 364.15341 183.8
[M-H]- 324.18297 184.2
[M+Na-2H]- 346.16492 187.4
[M]+ 325.18970 181.9
[M]- 325.19080 181.9
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