CID 468294

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

Structural Information

Molecular Formula
C14H17N5O2
SMILES
C=CCOC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N
InChI
InChI=1S/C14H17N5O2/c1-2-5-21-13-11-12(17-14(15)18-13)19(8-16-11)10-4-3-9(6-10)7-20/h2-4,8-10,20H,1,5-7H2,(H2,15,17,18)/t9-,10+/m1/s1
InChIKey
WHTBIIURXREMQH-ZJUUUORDSA-N
Compound name
[(1S,4R)-4-(2-amino-6-prop-2-enoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1382 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14548 165.4
[M+Na]+ 310.12742 175.4
[M-H]- 286.13092 167.5
[M+NH4]+ 305.17202 179.5
[M+K]+ 326.10136 170.2
[M+H-H2O]+ 270.13546 156.3
[M+HCOO]- 332.13640 185.4
[M+CH3COO]- 346.15205 176.4
[M+Na-2H]- 308.11287 167.1
[M]+ 287.13765 167.2
[M]- 287.13875 167.2
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.