CID 16074568

1(2h)-pyrimidineacetamide, 3-[(5r,6r,8r,9r)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-n,n-bis(2-chloroethyl)-3,6-dihydro-5-methyl-2,6-dioxo-

Structural Information

Molecular Formula
C30H52Cl2N4O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)N(CCCl)CCCl)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H52Cl2N4O9SSi2/c1-20-16-36(27(39)35(25(20)38)17-23(37)34(14-12-31)15-13-32)26-24(44-48(10,11)29(5,6)7)30(21(33)19-46(40,41)45-30)22(43-26)18-42-47(8,9)28(2,3)4/h16,19,22,24,26H,12-15,17-18,33H2,1-11H3/t22-,24+,26-,30-/m1/s1
InChIKey
AXEHIZQONAEJGX-XMQFHBISSA-N
Compound name
2-[3-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]-N,N-bis(2-chloroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

770.23706 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.24434 259.8
[M+Na]+ 793.22628 263.5
[M-H]- 769.22978 268.1
[M+NH4]+ 788.27088 262.3
[M+K]+ 809.20022 265.6
[M+H-H2O]+ 753.23432 258.7
[M+HCOO]- 815.23526 256.0
[M+CH3COO]- 829.25091 284.2
[M+Na-2H]- 791.21173 263.1
[M]+ 770.23651 276.8
[M]- 770.23761 276.8
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.