CID 3043070

3-pyridinecarboxamide, 6-(acetylamino)-n-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, trihydrochloride

Structural Information

Molecular Formula
C19H24N6O2
SMILES
CC(=O)NC1=NC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H24N6O2/c1-15(26)23-17-6-5-16(14-22-17)19(27)21-8-9-24-10-12-25(13-11-24)18-4-2-3-7-20-18/h2-7,14H,8-13H2,1H3,(H,21,27)(H,22,23,26)
InChIKey
QWNUURXXBGFVRI-UHFFFAOYSA-N
Compound name
6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.19608 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20336 187.8
[M+Na]+ 391.18530 198.4
[M+NH4]+ 386.22990 192.1
[M+K]+ 407.15924 192.8
[M-H]- 367.18880 191.2
[M+Na-2H]- 389.17075 195.0
[M]+ 368.19553 189.8
[M]- 368.19663 189.8
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

patents stripe