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

103
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

literature stripe

Patent stripe

patents stripe