CID 11406590

449811-92-1

Structural Information

Molecular Formula
C19H18F2N4O3
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4
InChI
InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)
InChIKey
KKKRKRMVJRHDMG-UHFFFAOYSA-N
Compound name
6-(2,4-difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

100
Patents

388.1347 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14198 193.6
[M+Na]+ 411.12392 202.3
[M-H]- 387.12742 198.2
[M+NH4]+ 406.16852 199.9
[M+K]+ 427.09786 196.8
[M+H-H2O]+ 371.13196 179.2
[M+HCOO]- 433.13290 207.1
[M+CH3COO]- 447.14855 201.7
[M+Na-2H]- 409.10937 196.4
[M]+ 388.13415 191.2
[M]- 388.13525 191.2
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

No patent data available for this compound.