CID 90279868

Uzansertib

Structural Information

Molecular Formula
C26H26F3N5O3
SMILES
C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C3CC[C@H](C3=NC=C2NC(=O)C4=NC(=C(C=C4)F)C5=C(C=CC=C5F)F)O
InChI
InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m0/s1
InChIKey
PTORCEYGCGXHDH-OVMXCRKPSA-N
Compound name
N-[(7R)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

730
Patents

513.1988 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.20608 222.0
[M+Na]+ 536.18802 230.4
[M+NH4]+ 531.23262 224.1
[M+K]+ 552.16196 227.0
[M-H]- 512.19152 223.2
[M+Na-2H]- 534.17347 223.7
[M]+ 513.19825 222.9
[M]- 513.19935 222.9
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

patents stripe