CID 5273399

Chembl359952

Structural Information

Molecular Formula
C24H25N5
SMILES
CCCCCCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H25N5/c1-2-3-4-11-16-25-23-22-24(27-17-26-23)29-21(19-14-9-6-10-15-19)20(28-22)18-12-7-5-8-13-18/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,25,26,27,29)
InChIKey
BTWUXWMRUFAOFV-UHFFFAOYSA-N
Compound name
N-hexyl-6,7-diphenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.211 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21828 197.2
[M+Na]+ 406.20022 203.8
[M-H]- 382.20372 201.3
[M+NH4]+ 401.24482 203.2
[M+K]+ 422.17416 194.6
[M+H-H2O]+ 366.20826 183.2
[M+HCOO]- 428.20920 214.2
[M+CH3COO]- 442.22485 204.5
[M+Na-2H]- 404.18567 204.0
[M]+ 383.21045 197.6
[M]- 383.21155 197.6
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.