CID 5479427

O(cl3et)-n(t-buocoet)po3nh azt

Structural Information

Molecular Formula
C19H28Cl3N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC(C)(C)C)OCC(Cl)(Cl)Cl)N=[N+]=[N-]
InChI
InChI=1S/C19H28Cl3N6O8P/c1-10-7-28(17(31)24-15(10)29)14-6-12(25-27-23)13(35-14)8-33-37(32,34-9-19(20,21)22)26-11(2)16(30)36-18(3,4)5/h7,11-14H,6,8-9H2,1-5H3,(H,26,32)(H,24,29,31)/t11-,12-,13+,14+,37?/m0/s1
InChIKey
BFEOWZZWNYQCHK-QVOOXELRSA-N
Compound name
tert-butyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2,2-trichloroethoxy)phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.0772 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.08448 232.1
[M+Na]+ 627.06642 234.0
[M-H]- 603.06992 236.3
[M+NH4]+ 622.11102 238.3
[M+K]+ 643.04036 229.2
[M+H-H2O]+ 587.07446 228.0
[M+HCOO]- 649.07540 250.9
[M+CH3COO]- 663.09105 252.1
[M+Na-2H]- 625.05187 237.1
[M]+ 604.07665 237.8
[M]- 604.07775 237.8
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.