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 188.5
[M+Na]+ 391.18530 191.1
[M-H]- 367.18880 191.6
[M+NH4]+ 386.22990 193.5
[M+K]+ 407.15924 185.9
[M+H-H2O]+ 351.19334 175.6
[M+HCOO]- 413.19428 203.6
[M+CH3COO]- 427.20993 220.3
[M+Na-2H]- 389.17075 191.6
[M]+ 368.19553 183.8
[M]- 368.19663 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