CID 216547

37425-38-0

Structural Information

Molecular Formula
C24H24F2N6O
SMILES
C1CN(CCN1C2=NC=NC3=C2N=CN3CCO)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H24F2N6O/c25-19-5-1-17(2-6-19)22(18-3-7-20(26)8-4-18)30-9-11-31(12-10-30)23-21-24(28-15-27-23)32(13-14-33)16-29-21/h1-8,15-16,22,33H,9-14H2
InChIKey
SIPDZPQZVJGUBP-UHFFFAOYSA-N
Compound name
2-[6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]purin-9-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.19797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.20525 209.4
[M+Na]+ 473.18719 216.8
[M-H]- 449.19069 211.2
[M+NH4]+ 468.23179 211.1
[M+K]+ 489.16113 206.5
[M+H-H2O]+ 433.19523 193.1
[M+HCOO]- 495.19617 217.3
[M+CH3COO]- 509.21182 214.3
[M+Na-2H]- 471.17264 208.0
[M]+ 450.19742 205.1
[M]- 450.19852 205.1
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.