CID 5496373

Cf1713

Structural Information

Molecular Formula
C24H36N7O9P
SMILES
C[C@@H](C(=O)OC)NP(=O)(OC[C@H]1C[C@H](C=C1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OCC(C(=O)OC)(OC)OC
InChI
InChI=1S/C24H36N7O9P/c1-14(21(32)35-2)30-41(34,40-12-24(37-4,38-5)22(33)36-3)39-11-15-6-9-17(10-15)31-13-26-18-19(27-16-7-8-16)28-23(25)29-20(18)31/h6,9,13-17H,7-8,10-12H2,1-5H3,(H,30,34)(H3,25,27,28,29)/t14-,15+,17-,41?/m0/s1
InChIKey
NHGAJUGQJXZSAC-LNNXNRFESA-N
Compound name
methyl 3-[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphoryl]oxy-2,2-dimethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.2312 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.23848 229.5
[M+Na]+ 620.22042 230.7
[M-H]- 596.22392 234.4
[M+NH4]+ 615.26502 225.8
[M+K]+ 636.19436 229.7
[M+H-H2O]+ 580.22846 220.1
[M+HCOO]- 642.22940 249.0
[M+CH3COO]- 656.24505 263.4
[M+Na-2H]- 618.20587 229.0
[M]+ 597.23065 240.5
[M]- 597.23175 240.5
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.