CID 499753

Chembl90451

Structural Information

Molecular Formula
C25H32N8O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NCCCN4C=CN=C4
InChI
InChI=1S/C25H32N8O2/c1-19(2)30-21-5-3-8-27-23(21)32-13-15-33(16-14-32)25(35)22-7-6-20(17-29-22)24(34)28-9-4-11-31-12-10-26-18-31/h3,5-8,10,12,17-19,30H,4,9,11,13-16H2,1-2H3,(H,28,34)
InChIKey
SLOMCTXEILJLPN-UHFFFAOYSA-N
Compound name
N-(3-imidazol-1-ylpropyl)-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

2
Patents

476.26483 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.27211 213.1
[M+Na]+ 499.25405 214.3
[M-H]- 475.25755 217.2
[M+NH4]+ 494.29865 212.4
[M+K]+ 515.22799 207.8
[M+H-H2O]+ 459.26209 198.4
[M+HCOO]- 521.26303 224.4
[M+CH3COO]- 535.27868 217.0
[M+Na-2H]- 497.23950 211.6
[M]+ 476.26428 209.5
[M]- 476.26538 209.5
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.