CID 5273402

Chembl361600

Structural Information

Molecular Formula
C25H25N5
SMILES
C1CCCC(CC1)NC2=NC=NC3=C2N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H25N5/c1-2-10-16-20(15-9-1)28-24-23-25(27-17-26-24)30-22(19-13-7-4-8-14-19)21(29-23)18-11-5-3-6-12-18/h3-8,11-14,17,20H,1-2,9-10,15-16H2,(H,26,27,28,30)
InChIKey
YADRIMOXAMDFQM-UHFFFAOYSA-N
Compound name
N-cycloheptyl-6,7-diphenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.211 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21828 202.1
[M+Na]+ 418.20022 206.5
[M-H]- 394.20372 209.5
[M+NH4]+ 413.24482 206.6
[M+K]+ 434.17416 201.9
[M+H-H2O]+ 378.20826 187.4
[M+HCOO]- 440.20920 215.5
[M+CH3COO]- 454.22485 208.0
[M+Na-2H]- 416.18567 206.6
[M]+ 395.21045 193.6
[M]- 395.21155 193.6
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.