CID 5273428

Chembl182338

Structural Information

Molecular Formula
C25H23F2N5
SMILES
CC1CCC(CC1)NC2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H23F2N5/c1-15-2-12-20(13-3-15)30-24-23-25(29-14-28-24)32-22(17-6-10-19(27)11-7-17)21(31-23)16-4-8-18(26)9-5-16/h4-11,14-15,20H,2-3,12-13H2,1H3,(H,28,29,30,32)
InChIKey
REXLBWKQMIMSQG-UHFFFAOYSA-N
Compound name
6,7-bis(4-fluorophenyl)-N-(4-methylcyclohexyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.19214 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19942 209.8
[M+Na]+ 454.18136 217.0
[M-H]- 430.18486 214.4
[M+NH4]+ 449.22596 213.6
[M+K]+ 470.15530 206.4
[M+H-H2O]+ 414.18940 192.8
[M+HCOO]- 476.19034 220.9
[M+CH3COO]- 490.20599 215.4
[M+Na-2H]- 452.16681 211.3
[M]+ 431.19159 203.0
[M]- 431.19269 203.0
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.