CID 49857317

Nanatinostat

Structural Information

Molecular Formula
C20H19FN6O2
SMILES
C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO
InChI
InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18?
InChIKey
QRGHOAATPOLDPF-BYICEURKSA-N
Compound name
2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1364
Patents

394.15536 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16264 192.6
[M+Na]+ 417.14458 205.5
[M+NH4]+ 412.18918 198.6
[M+K]+ 433.11852 202.3
[M-H]- 393.14808 202.1
[M+Na-2H]- 415.13003 199.9
[M]+ 394.15481 197.9
[M]- 394.15591 197.9
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