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

2
Patents

368.19608 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.203356 188.5
[M+Na]+ 391.185298 191.1
[M-H]- 367.188804 191.6
[M+NH4]+ 386.229903 193.5
[M+K]+ 407.159238 185.9
[M+H-H2O]+ 351.193340 175.6
[M+HCOO]- 413.194281 203.6
[M+CH3COO]- 427.209931 220.3
[M+Na-2H]- 389.170746 191.6
[M]+ 368.19553142 183.8
[M]- 368.19662858 183.8
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