CID 144857998

5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide

Structural Information

Molecular Formula
C21H28N6O
SMILES
C1CCN(CC1)C2=CN=C(C(=N2)NC3=CC=C(C=C3)C4CCNCC4)C(=O)N
InChI
InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)
InChIKey
VGSQWWPMYSJONU-UHFFFAOYSA-N
Compound name
5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

380.23245 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23973 192.2
[M+Na]+ 403.22167 192.6
[M-H]- 379.22517 195.5
[M+NH4]+ 398.26627 195.2
[M+K]+ 419.19561 185.2
[M+H-H2O]+ 363.22971 178.5
[M+HCOO]- 425.23065 201.9
[M+CH3COO]- 439.24630 196.6
[M+Na-2H]- 401.20712 192.6
[M]+ 380.23190 179.2
[M]- 380.23300 179.2
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