CID 3045027

Brn 0590459

Structural Information

Molecular Formula
C16H25N7O4
SMILES
CCN(CC)CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C16H25N7O4/c1-3-22(4-2)6-5-18-15(26)12-10(24)11(25)16(27-12)23-8-21-9-13(17)19-7-20-14(9)23/h7-8,10-12,16,24-25H,3-6H2,1-2H3,(H,18,26)(H2,17,19,20)/t10-,11+,12-,16+/m0/s1
InChIKey
GCHBQJVYMUFPSP-MEQWQQMJSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[2-(diethylamino)ethyl]-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1968 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20408 188.2
[M+Na]+ 402.18602 194.2
[M-H]- 378.18952 191.1
[M+NH4]+ 397.23062 196.4
[M+K]+ 418.15996 192.4
[M+H-H2O]+ 362.19406 178.8
[M+HCOO]- 424.19500 205.5
[M+CH3COO]- 438.21065 225.0
[M+Na-2H]- 400.17147 187.6
[M]+ 379.19625 190.5
[M]- 379.19735 190.5
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.