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]+ 290.16115 165.9
[M+Na]+ 312.14309 177.3
[M-H]- 288.14659 167.5
[M+NH4]+ 307.18769 181.7
[M+K]+ 328.11703 172.0
[M+H-H2O]+ 272.15113 158.1
[M+HCOO]- 334.15207 184.3
[M+CH3COO]- 348.16772 177.1
[M+Na-2H]- 310.12854 167.9
[M]+ 289.15332 167.6
[M]- 289.15442 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.