CID 218411

40540-68-9

Structural Information

Molecular Formula
C17H22N6O
SMILES
C1CN(CCN1CCNC(=O)C2=CN=C(C=C2)N)C3=CC=CC=N3
InChI
InChI=1S/C17H22N6O/c18-15-5-4-14(13-21-15)17(24)20-7-8-22-9-11-23(12-10-22)16-3-1-2-6-19-16/h1-6,13H,7-12H2,(H2,18,21)(H,20,24)
InChIKey
RDELIIVICDCDCR-UHFFFAOYSA-N
Compound name
6-amino-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

326.18552 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19280 178.5
[M+Na]+ 349.17474 182.1
[M-H]- 325.17824 181.2
[M+NH4]+ 344.21934 185.1
[M+K]+ 365.14868 176.3
[M+H-H2O]+ 309.18278 165.9
[M+HCOO]- 371.18372 194.2
[M+CH3COO]- 385.19937 185.7
[M+Na-2H]- 347.16019 182.5
[M]+ 326.18497 172.1
[M]- 326.18607 172.1
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