CID 16659841

Azd1480

Structural Information

Molecular Formula
C14H14ClFN8
SMILES
CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F
InChI
InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
InChIKey
PDOQBOJDRPLBQU-QMMMGPOBSA-N
Compound name
5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

75
References

3365
Patents

348.1014 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10868 173.9
[M+Na]+ 371.09062 186.8
[M+NH4]+ 366.13522 178.2
[M+K]+ 387.06456 183.2
[M-H]- 347.09412 175.3
[M+Na-2H]- 369.07607 181.9
[M]+ 348.10085 176.0
[M]- 348.10195 176.0
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