CID 5273401

Chembl362597

Structural Information

Molecular Formula
C23H21N5
SMILES
C1CCN(CC1)C2=NC=NC3=C2N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H21N5/c1-4-10-17(11-5-1)19-20(18-12-6-2-7-13-18)27-22-21(26-19)23(25-16-24-22)28-14-8-3-9-15-28/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKey
OMTWOEWJJPKNHT-UHFFFAOYSA-N
Compound name
6,7-diphenyl-4-piperidin-1-ylpteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.1797 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18698 193.3
[M+Na]+ 390.16892 199.2
[M-H]- 366.17242 198.3
[M+NH4]+ 385.21352 197.7
[M+K]+ 406.14286 189.6
[M+H-H2O]+ 350.17696 177.4
[M+HCOO]- 412.17790 204.7
[M+CH3COO]- 426.19355 199.6
[M+Na-2H]- 388.15437 198.6
[M]+ 367.17915 187.2
[M]- 367.18025 187.2
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.