CID 9574768

Tenofovir alafenamide

Structural Information

Molecular Formula
C21H29N6O5P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3
InChI
InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1
InChIKey
LDEKQSIMHVQZJK-CAQYMETFSA-N
Compound name
propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

586
References

6280
Patents

476.1937 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.20098 207.1
[M+Na]+ 499.18292 214.0
[M+NH4]+ 494.22752 208.2
[M+K]+ 515.15686 214.8
[M-H]- 475.18642 205.9
[M+Na-2H]- 497.16837 209.9
[M]+ 476.19315 207.0
[M]- 476.19425 207.0
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

patents stripe