CID 3045034

Brn 0586984

Structural Information

Molecular Formula
C16H20N6O4
SMILES
CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NC3CC3)N4C=NC5=C(N=CN=C54)N)C
InChI
InChI=1S/C16H20N6O4/c1-16(2)25-9-10(14(23)21-7-3-4-7)24-15(11(9)26-16)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15H,3-4H2,1-2H3,(H,21,23)(H2,17,18,19)/t9-,10+,11-,15-/m1/s1
InChIKey
STCISRQZLXYKNP-JNIYBQFBSA-N
Compound name
(3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-N-cyclopropyl-2,2-dimethyl-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 184.0
[M+Na]+ 383.14382 195.2
[M-H]- 359.14732 193.7
[M+NH4]+ 378.18842 191.4
[M+K]+ 399.11776 193.0
[M+H-H2O]+ 343.15186 178.4
[M+HCOO]- 405.15280 198.9
[M+CH3COO]- 419.16845 194.2
[M+Na-2H]- 381.12927 183.7
[M]+ 360.15405 190.6
[M]- 360.15515 190.6
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.