CID 5273400

Chembl182741

Structural Information

Molecular Formula
C25H27N5O
SMILES
CCCCOCCCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27N5O/c1-2-3-16-31-17-10-15-26-24-23-25(28-18-27-24)30-22(20-13-8-5-9-14-20)21(29-23)19-11-6-4-7-12-19/h4-9,11-14,18H,2-3,10,15-17H2,1H3,(H,26,27,28,30)
InChIKey
IWEWJNBLXUGEPO-UHFFFAOYSA-N
Compound name
N-(3-butoxypropyl)-6,7-diphenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.22156 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.22884 204.1
[M+Na]+ 436.21078 209.9
[M-H]- 412.21428 208.0
[M+NH4]+ 431.25538 208.7
[M+K]+ 452.18472 201.3
[M+H-H2O]+ 396.21882 189.6
[M+HCOO]- 458.21976 220.8
[M+CH3COO]- 472.23541 210.8
[M+Na-2H]- 434.19623 210.4
[M]+ 413.22101 206.0
[M]- 413.22211 206.0
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.