CID 15955621

Azt-co-nh-(ch2)2-s-co-azt

Structural Information

Molecular Formula
C24H29N11O10S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)NCCSC(=O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C24H29N11O10S/c1-11-7-34(21(38)28-19(11)36)17-5-13(30-32-25)15(44-17)9-42-23(40)27-3-4-46-24(41)43-10-16-14(31-33-26)6-18(45-16)35-8-12(2)20(37)29-22(35)39/h7-8,13-18H,3-6,9-10H2,1-2H3,(H,27,40)(H,28,36,38)(H,29,37,39)/t13-,14-,15+,16+,17+,18+/m0/s1
InChIKey
WPKPEWBYEPNVOX-DWMDIXPDSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxycarbonylamino]ethylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

663.18195 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.18923 243.4
[M+Na]+ 686.17117 246.8
[M-H]- 662.17467 241.5
[M+NH4]+ 681.21577 247.4
[M+K]+ 702.14511 247.9
[M+H-H2O]+ 646.17921 233.4
[M+HCOO]- 708.18015 248.5
[M+CH3COO]- 722.19580 266.1
[M+Na-2H]- 684.15662 274.0
[M]+ 663.18140 288.2
[M]- 663.18250 288.2
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.