CID 499745

Chembl327317

Structural Information

Molecular Formula
C22H28N6O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NC4CC4
InChI
InChI=1S/C22H28N6O2/c1-15(2)25-18-4-3-9-23-20(18)27-10-12-28(13-11-27)22(30)19-8-5-16(14-24-19)21(29)26-17-6-7-17/h3-5,8-9,14-15,17,25H,6-7,10-13H2,1-2H3,(H,26,29)
InChIKey
NWGUQINBWHBOIR-UHFFFAOYSA-N
Compound name
N-cyclopropyl-6-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

408.2274 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23468 204.1
[M+Na]+ 431.21662 208.1
[M-H]- 407.22012 210.5
[M+NH4]+ 426.26122 203.4
[M+K]+ 447.19056 201.3
[M+H-H2O]+ 391.22466 192.2
[M+HCOO]- 453.22560 218.5
[M+CH3COO]- 467.24125 231.0
[M+Na-2H]- 429.20207 203.7
[M]+ 408.22685 201.5
[M]- 408.22795 201.5
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

No patent data available for this compound.