CID 468298

[(1s,4r)-4-[2-amino-6-(propylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C14H20N6O
SMILES
CCCNC1=C2C(=NC(=N1)N)N(C=N2)[C@@H]3C[C@@H](C=C3)CO
InChI
InChI=1S/C14H20N6O/c1-2-5-16-12-11-13(19-14(15)18-12)20(8-17-11)10-4-3-9(6-10)7-21/h3-4,8-10,21H,2,5-7H2,1H3,(H3,15,16,18,19)/t9-,10+/m1/s1
InChIKey
QAPRHPNUBLNREC-ZJUUUORDSA-N
Compound name
[(1S,4R)-4-[2-amino-6-(propylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

288.16986 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17714 165.4
[M+Na]+ 311.15908 174.5
[M-H]- 287.16258 167.6
[M+NH4]+ 306.20368 179.3
[M+K]+ 327.13302 169.3
[M+H-H2O]+ 271.16712 156.0
[M+HCOO]- 333.16806 186.1
[M+CH3COO]- 347.18371 176.1
[M+Na-2H]- 309.14453 168.1
[M]+ 288.16931 166.0
[M]- 288.17041 166.0
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.