CID 468292

Iivqkxkrvasvqe-nepjuhhusa-n

Structural Information

Molecular Formula
C16H23N5O2
SMILES
CCCCCOC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N
InChI
InChI=1S/C16H23N5O2/c1-2-3-4-7-23-15-13-14(19-16(17)20-15)21(10-18-13)12-6-5-11(8-12)9-22/h5-6,10-12,22H,2-4,7-9H2,1H3,(H2,17,19,20)/t11-,12+/m1/s1
InChIKey
IIVQKXKRVASVQE-NEPJUHHUSA-N
Compound name
[(1S,4R)-4-(2-amino-6-pentoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.18518 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19246 174.6
[M+Na]+ 340.17440 183.4
[M-H]- 316.17790 176.3
[M+NH4]+ 335.21900 187.5
[M+K]+ 356.14834 178.3
[M+H-H2O]+ 300.18244 165.0
[M+HCOO]- 362.18338 193.6
[M+CH3COO]- 376.19903 207.3
[M+Na-2H]- 338.15985 175.3
[M]+ 317.18463 177.7
[M]- 317.18573 177.7
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

patents stripe