CID 5496378

Cf1722

Structural Information

Molecular Formula
C29H38N7O5P
SMILES
C[C@@H](C(=O)OCC1CCCC1)NP(=O)(OC[C@H]2C[C@H](C=C2)N3C=NC4=C(N=C(N=C43)N)NC5CC5)OC6=CC=CC=C6
InChI
InChI=1S/C29H38N7O5P/c1-19(28(37)39-16-20-7-5-6-8-20)35-42(38,41-24-9-3-2-4-10-24)40-17-21-11-14-23(15-21)36-18-31-25-26(32-22-12-13-22)33-29(30)34-27(25)36/h2-4,9-11,14,18-23H,5-8,12-13,15-17H2,1H3,(H,35,38)(H3,30,32,33,34)/t19-,21+,23-,42?/m0/s1
InChIKey
FMARMOSJAFUGCE-SOHAXDADSA-N
Compound name
cyclopentylmethyl (2S)-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

0
References

0
Patents

595.2672 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.27448 218.7
[M+Na]+ 618.25642 218.8
[M-H]- 594.25992 229.0
[M+NH4]+ 613.30102 216.2
[M+K]+ 634.23036 215.1
[M+H-H2O]+ 578.26446 208.2
[M+HCOO]- 640.26540 239.3
[M+CH3COO]- 654.28105 261.4
[M+Na-2H]- 616.24187 213.8
[M]+ 595.26665 221.4
[M]- 595.26775 221.4
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.