CID 9817411

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

Structural Information

Molecular Formula
C14H20N6O
SMILES
CC(C)NC1=C2C(=NC(=N1)N)N(C=N2)[C@@H]3C[C@@H](C=C3)CO
InChI
InChI=1S/C14H20N6O/c1-8(2)17-12-11-13(19-14(15)18-12)20(7-16-11)10-4-3-9(5-10)6-21/h3-4,7-10,21H,5-6H2,1-2H3,(H3,15,17,18,19)/t9-,10+/m1/s1
InChIKey
SXFIIZFCBYLDQT-ZJUUUORDSA-N
Compound name
[(1S,4R)-4-[2-amino-6-(propan-2-ylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

288.16986 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17714 166.3
[M+Na]+ 311.15908 175.1
[M-H]- 287.16258 168.7
[M+NH4]+ 306.20368 180.2
[M+K]+ 327.13302 170.5
[M+H-H2O]+ 271.16712 157.2
[M+HCOO]- 333.16806 186.1
[M+CH3COO]- 347.18371 176.9
[M+Na-2H]- 309.14453 167.9
[M]+ 288.16931 166.4
[M]- 288.17041 166.4
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.