CID 135382587

Oditrasertib

Structural Information

Molecular Formula
C14H15F2N3O2
SMILES
CC(C)(C(F)F)C(=O)N1CCOC2=C(C=NC=C2C1)C#N
InChI
InChI=1S/C14H15F2N3O2/c1-14(2,12(15)16)13(20)19-3-4-21-11-9(5-17)6-18-7-10(11)8-19/h6-7,12H,3-4,8H2,1-2H3
InChIKey
CSCLQCHKUAMZOY-UHFFFAOYSA-N
Compound name
4-(3,3-difluoro-2,2-dimethylpropanoyl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

295.11322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12050 166.5
[M+Na]+ 318.10244 174.1
[M+NH4]+ 313.14704 167.7
[M+K]+ 334.07638 168.2
[M-H]- 294.10594 157.8
[M+Na-2H]- 316.08789 165.9
[M]+ 295.11267 164.2
[M]- 295.11377 164.2
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