CID 46216378

Gnf351

Structural Information

Molecular Formula
C24H25N7
SMILES
CC1=CC(=CN=C1)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C24H25N7/c1-15(2)31-14-28-21-23(26-9-8-17-13-27-20-7-5-4-6-19(17)20)29-22(30-24(21)31)18-10-16(3)11-25-12-18/h4-7,10-15,27H,8-9H2,1-3H3,(H,26,29,30)
InChIKey
ABXIUYMKZDZUDC-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methylpyridin-3-yl)-9-propan-2-ylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

197
Patents

411.21713 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22441 201.0
[M+Na]+ 434.20635 211.4
[M-H]- 410.20985 205.7
[M+NH4]+ 429.25095 208.1
[M+K]+ 450.18029 201.8
[M+H-H2O]+ 394.21439 188.9
[M+HCOO]- 456.21533 217.2
[M+CH3COO]- 470.23098 209.1
[M+Na-2H]- 432.19180 203.0
[M]+ 411.21658 204.7
[M]- 411.21768 204.7
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

patents stripe