CID 11538455

Quisinostat

Structural Information

Molecular Formula
C21H26N6O2
SMILES
CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NO
InChI
InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
InChIKey
PAWIYAYFNXQGAP-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

81
References

4280
Patents

394.21173 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21901 195.0
[M+Na]+ 417.20095 206.6
[M+NH4]+ 412.24555 200.1
[M+K]+ 433.17489 202.1
[M-H]- 393.20445 199.0
[M+Na-2H]- 415.18640 201.4
[M]+ 394.21118 197.4
[M]- 394.21228 197.4
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