CID 11681588

Pf-670462 free base

Structural Information

Molecular Formula
C19H20FN5
SMILES
C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
InChIKey
WUDBUIUHVNECTM-UHFFFAOYSA-N
Compound name
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

46
References

56
Patents

337.1703 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17758 180.8
[M+Na]+ 360.15952 187.6
[M-H]- 336.16302 186.3
[M+NH4]+ 355.20412 189.3
[M+K]+ 376.13346 179.8
[M+H-H2O]+ 320.16756 167.2
[M+HCOO]- 382.16850 196.3
[M+CH3COO]- 396.18415 189.1
[M+Na-2H]- 358.14497 180.9
[M]+ 337.16975 173.9
[M]- 337.17085 173.9
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