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 183.1
[M+Na]+ 383.14382 192.6
[M-H]- 359.14732 189.6
[M+NH4]+ 378.18842 195.1
[M+K]+ 399.11776 191.9
[M+H-H2O]+ 343.15186 176.5
[M+HCOO]- 405.15280 199.0
[M+CH3COO]- 419.16845 193.5
[M+Na-2H]- 381.12927 183.0
[M]+ 360.15405 187.7
[M]- 360.15515 187.7
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.