CID 506144

2'-deoxy-neplanocin a

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1[C@@H](C=C([C@H]1O)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h1,4-5,7-8,17-18H,2-3H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKey
FUXZCHFPDWBSQX-SFYZADRCSA-N
Compound name
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.10692 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 153.1
[M+Na]+ 270.09614 163.8
[M-H]- 246.09964 154.4
[M+NH4]+ 265.14074 168.2
[M+K]+ 286.07008 159.0
[M+H-H2O]+ 230.10418 144.8
[M+HCOO]- 292.10512 172.4
[M+CH3COO]- 306.12077 164.7
[M+Na-2H]- 268.08159 156.0
[M]+ 247.10637 152.9
[M]- 247.10747 152.9
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.