CID 499764

Chembl93317

Structural Information

Molecular Formula
C26H34N8O2
SMILES
CC(C)CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NCCCN4C=CN=C4
InChI
InChI=1S/C26H34N8O2/c1-20(2)17-30-22-5-3-8-28-24(22)33-13-15-34(16-14-33)26(36)23-7-6-21(18-31-23)25(35)29-9-4-11-32-12-10-27-19-32/h3,5-8,10,12,18-20,30H,4,9,11,13-17H2,1-2H3,(H,29,35)
InChIKey
QQGVCNOWEGSPOU-UHFFFAOYSA-N
Compound name
N-(3-imidazol-1-ylpropyl)-6-[4-[3-(2-methylpropylamino)pyridin-2-yl]piperazine-1-carbonyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

490.2805 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.28778 216.8
[M+Na]+ 513.26972 217.6
[M-H]- 489.27322 220.8
[M+NH4]+ 508.31432 215.6
[M+K]+ 529.24366 211.0
[M+H-H2O]+ 473.27776 202.0
[M+HCOO]- 535.27870 227.9
[M+CH3COO]- 549.29435 243.8
[M+Na-2H]- 511.25517 215.0
[M]+ 490.27995 213.6
[M]- 490.28105 213.6
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.