CID 5273427

Chembl182285

Structural Information

Molecular Formula
C22H17F2N5
SMILES
C1CC(C1)NC2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H17F2N5/c23-15-8-4-13(5-9-15)18-19(14-6-10-16(24)11-7-14)29-22-20(28-18)21(25-12-26-22)27-17-2-1-3-17/h4-12,17H,1-3H2,(H,25,26,27,29)
InChIKey
KECDGYJZJYTHBD-UHFFFAOYSA-N
Compound name
N-cyclobutyl-6,7-bis(4-fluorophenyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.1452 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15248 194.8
[M+Na]+ 412.13442 203.0
[M-H]- 388.13792 199.5
[M+NH4]+ 407.17902 194.7
[M+K]+ 428.10836 196.9
[M+H-H2O]+ 372.14246 173.7
[M+HCOO]- 434.14340 208.5
[M+CH3COO]- 448.15905 201.8
[M+Na-2H]- 410.11987 198.7
[M]+ 389.14465 199.1
[M]- 389.14575 199.1
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

No patent data available for this compound.