CID 514350

Cf1583

Structural Information

Molecular Formula
C24H30N7O5P
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)OC5=CC=CC=C5
InChI
InChI=1S/C24H30N7O5P/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/h3-8,11,14-18H,9-10,12-13H2,1-2H3,(H,30,33)(H3,25,27,28,29)/t15-,16-,18+,37?/m1/s1
InChIKey
JPGQNHAWHNRZIL-SIJDGVHRSA-N
Compound name
methyl (2R)-2-[[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

527.2046 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.21188 214.6
[M+Na]+ 550.19382 218.4
[M-H]- 526.19732 222.5
[M+NH4]+ 545.23842 213.5
[M+K]+ 566.16776 213.8
[M+H-H2O]+ 510.20186 203.3
[M+HCOO]- 572.20280 237.5
[M+CH3COO]- 586.21845 251.5
[M+Na-2H]- 548.17927 212.9
[M]+ 527.20405 219.8
[M]- 527.20515 219.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.