CID 3045033

Brn 0583546

Structural Information

Molecular Formula
C16H20N6O4
SMILES
CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NCC=C)N3C=NC4=C(N=CN=C43)N)C
InChI
InChI=1S/C16H20N6O4/c1-4-5-18-14(23)10-9-11(26-16(2,3)25-9)15(24-10)22-7-21-8-12(17)19-6-20-13(8)22/h4,6-7,9-11,15H,1,5H2,2-3H3,(H,18,23)(H2,17,19,20)/t9-,10+,11-,15-/m1/s1
InChIKey
SAMMLWILXNFZDG-JNIYBQFBSA-N
Compound name
(3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-N-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1546 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16188 181.3
[M+Na]+ 383.14382 190.2
[M+NH4]+ 378.18842 186.7
[M+K]+ 399.11776 192.0
[M-H]- 359.14732 185.2
[M+Na-2H]- 381.12927 181.7
[M]+ 360.15405 183.4
[M]- 360.15515 183.4
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.