CID 137150090

Tanuxiciclib

Structural Information

Molecular Formula
C15H13FN6O
SMILES
CC1=CC(=NC(=N1)N)C2=C(C=CC(=N2)C3=C(C(=NC=C3)N)F)O
InChI
InChI=1S/C15H13FN6O/c1-7-6-10(22-15(18)20-7)13-11(23)3-2-9(21-13)8-4-5-19-14(17)12(8)16/h2-6,23H,1H3,(H2,17,19)(H2,18,20,22)
InChIKey
UQHDKUFLWKTTDL-UHFFFAOYSA-N
Compound name
6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-methylpyrimidin-4-yl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

312.1135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12078 176.4
[M+Na]+ 335.10272 187.4
[M-H]- 311.10622 179.1
[M+NH4]+ 330.14732 184.2
[M+K]+ 351.07666 179.6
[M+H-H2O]+ 295.11076 164.5
[M+HCOO]- 357.11170 194.5
[M+CH3COO]- 371.12735 185.9
[M+Na-2H]- 333.08817 180.0
[M]+ 312.11295 173.0
[M]- 312.11405 173.0
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.