CID 3044947

Brn 0585988

Structural Information

Molecular Formula
C15H22N6O4
SMILES
CCC(CC)NC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C15H22N6O4/c1-3-7(4-2)20-14(24)11-9(22)10(23)15(25-11)21-6-19-8-12(16)17-5-18-13(8)21/h5-7,9-11,15,22-23H,3-4H2,1-2H3,(H,20,24)(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
InChIKey
HPUKIKGAVJLDQB-BQVMBELUSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-pentan-3-yloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.17026 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17754 181.9
[M+Na]+ 373.15948 189.0
[M-H]- 349.16298 183.7
[M+NH4]+ 368.20408 191.0
[M+K]+ 389.13342 186.4
[M+H-H2O]+ 333.16752 173.4
[M+HCOO]- 395.16846 197.0
[M+CH3COO]- 409.18411 214.6
[M+Na-2H]- 371.14493 180.4
[M]+ 350.16971 182.8
[M]- 350.17081 182.8
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.