CID 168477818

2-morpholin-4-yl-9-propan-2-yl-~{n}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine

Structural Information

Molecular Formula
C24H27N7O
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)N3CCOCC3)NCC4=CC=C(C=C4)C5=CC=CC=N5
InChI
InChI=1S/C24H27N7O/c1-17(2)31-16-27-21-22(28-24(29-23(21)31)30-11-13-32-14-12-30)26-15-18-6-8-19(9-7-18)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,28,29)
InChIKey
LQFDMFLOSFCOEO-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.22772 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.23500 205.8
[M+Na]+ 452.21694 212.0
[M-H]- 428.22044 211.7
[M+NH4]+ 447.26154 207.2
[M+K]+ 468.19088 204.5
[M+H-H2O]+ 412.22498 190.8
[M+HCOO]- 474.22592 217.4
[M+CH3COO]- 488.24157 211.8
[M+Na-2H]- 450.20239 207.6
[M]+ 429.22717 204.4
[M]- 429.22827 204.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.