CID 3013708

[(4r)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2,3-dimethyl-cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C14H19N5O2
SMILES
CC1=C(C(C[C@H]1N2C=NC3=C(N=CN=C32)N)(CO)CO)C
InChI
InChI=1S/C14H19N5O2/c1-8-9(2)14(4-20,5-21)3-10(8)19-7-18-11-12(15)16-6-17-13(11)19/h6-7,10,20-21H,3-5H2,1-2H3,(H2,15,16,17)/t10-/m1/s1
InChIKey
FPORFWBHHPCTNK-SNVBAGLBSA-N
Compound name
[(4R)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.15387 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.161146 165.9
[M+Na]+ 312.143088 177.3
[M-H]- 288.146594 167.5
[M+NH4]+ 307.187693 181.7
[M+K]+ 328.117028 172.0
[M+H-H2O]+ 272.151130 158.1
[M+HCOO]- 334.152071 184.3
[M+CH3COO]- 348.167721 177.1
[M+Na-2H]- 310.128536 167.9
[M]+ 289.15332142 167.6
[M]- 289.15441858 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.