CID 5273397

Chembl183179

Structural Information

Molecular Formula
C20H17N5
SMILES
CCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H17N5/c1-2-21-19-18-20(23-13-22-19)25-17(15-11-7-4-8-12-15)16(24-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,21,22,23,25)
InChIKey
ORXIKTZORNTFFW-UHFFFAOYSA-N
Compound name
N-ethyl-6,7-diphenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1484 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15568 180.2
[M+Na]+ 350.13762 188.8
[M-H]- 326.14112 185.2
[M+NH4]+ 345.18222 188.7
[M+K]+ 366.11156 180.4
[M+H-H2O]+ 310.14566 167.2
[M+HCOO]- 372.14660 198.7
[M+CH3COO]- 386.16225 189.4
[M+Na-2H]- 348.12307 189.2
[M]+ 327.14785 179.5
[M]- 327.14895 179.5
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.