CID 396150

Nsc701698

Structural Information

Molecular Formula
C23H34N6O7
SMILES
CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)CN(C(=O)OC(C)(C)C)OC(=O)C(C)(C)C)C
InChI
InChI=1S/C23H34N6O7/c1-21(2,3)19(30)36-29(20(31)35-22(4,5)6)9-12-14-15(34-23(7,8)33-14)18(32-12)28-11-27-13-16(24)25-10-26-17(13)28/h10-12,14-15,18H,9H2,1-8H3,(H2,24,25,26)
InChIKey
PCZOMCSHLNIERQ-UHFFFAOYSA-N
Compound name
[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.2489 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.25618 219.0
[M+Na]+ 529.23812 224.7
[M-H]- 505.24162 226.9
[M+NH4]+ 524.28272 225.9
[M+K]+ 545.21206 228.8
[M+H-H2O]+ 489.24616 214.7
[M+HCOO]- 551.24710 229.4
[M+CH3COO]- 565.26275 247.4
[M+Na-2H]- 527.22357 219.4
[M]+ 506.24835 229.0
[M]- 506.24945 229.0
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.