CID 5496365

Cf1880

Structural Information

Molecular Formula
C24H32N7O5P
SMILES
C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1CC[C@@H](C1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OC5=CC=CC=C5
InChI
InChI=1S/C24H32N7O5P/c1-15(23(32)34-2)30-37(33,36-19-6-4-3-5-7-19)35-13-16-8-11-18(12-16)31-14-26-20-21(27-17-9-10-17)28-24(25)29-22(20)31/h3-7,14-18H,8-13H2,1-2H3,(H,30,33)(H3,25,27,28,29)/t15-,16+,18-,37?/m0/s1
InChIKey
RNEPWZMJPMUZIR-HUEWQRAJSA-N
Compound name
methyl (2S)-2-[[[(1R,3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.2203 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.22758 214.7
[M+Na]+ 552.20952 217.7
[M-H]- 528.21302 222.2
[M+NH4]+ 547.25412 213.5
[M+K]+ 568.18346 213.2
[M+H-H2O]+ 512.21756 203.5
[M+HCOO]- 574.21850 236.3
[M+CH3COO]- 588.23415 251.9
[M+Na-2H]- 550.19497 212.3
[M]+ 529.21975 218.8
[M]- 529.22085 218.8
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.