CID 475308

1-isopropylamino-3-(6-pyrrol-1-yl-purin-9-yl)-propan-2-ol

Structural Information

Molecular Formula
C15H20N6O
SMILES
CC(C)NCC(CN1C=NC2=C1N=CN=C2N3C=CC=C3)O
InChI
InChI=1S/C15H20N6O/c1-11(2)16-7-12(22)8-21-10-19-13-14(17-9-18-15(13)21)20-5-3-4-6-20/h3-6,9-12,16,22H,7-8H2,1-2H3
InChIKey
GNYLVOZVRKXXQJ-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16986 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17714 169.4
[M+Na]+ 323.15908 177.4
[M-H]- 299.16258 170.5
[M+NH4]+ 318.20368 181.3
[M+K]+ 339.13302 173.0
[M+H-H2O]+ 283.16712 159.1
[M+HCOO]- 345.16806 187.4
[M+CH3COO]- 359.18371 179.2
[M+Na-2H]- 321.14453 171.8
[M]+ 300.16931 171.8
[M]- 300.17041 171.8
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.