CID 499759

Chembl93427

Structural Information

Molecular Formula
C23H32N6O2
SMILES
CC(C)CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NC(C)C
InChI
InChI=1S/C23H32N6O2/c1-16(2)14-25-19-6-5-9-24-21(19)28-10-12-29(13-11-28)23(31)20-8-7-18(15-26-20)22(30)27-17(3)4/h5-9,15-17,25H,10-14H2,1-4H3,(H,27,30)
InChIKey
XBDPQVYCECRPOB-UHFFFAOYSA-N
Compound name
6-[4-[3-(2-methylpropylamino)pyridin-2-yl]piperazine-1-carbonyl]-N-propan-2-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

424.25867 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.26595 205.5
[M+Na]+ 447.24789 206.7
[M-H]- 423.25139 208.6
[M+NH4]+ 442.29249 208.4
[M+K]+ 463.22183 202.0
[M+H-H2O]+ 407.25593 192.7
[M+HCOO]- 469.25687 217.3
[M+CH3COO]- 483.27252 235.1
[M+Na-2H]- 445.23334 203.8
[M]+ 424.25812 201.6
[M]- 424.25922 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe