CID 3011358

Benzamide, n-[3-[3-[(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]-3,6-dihydro-5-methyl-2,6-dioxo-1(2h)-pyrimidinyl]propyl]-4-azido-

Structural Information

Molecular Formula
C34H53N7O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)C2=CC=C(C=C2)N=[N+]=[N-])[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C34H53N7O9SSi2/c1-22-19-41(31(44)40(29(22)43)18-12-17-37-28(42)23-13-15-24(16-14-23)38-39-36)30-27(49-53(10,11)33(5,6)7)34(25(35)21-51(45,46)50-34)26(48-30)20-47-52(8,9)32(2,3)4/h13-16,19,21,26-27,30H,12,17-18,20,35H2,1-11H3,(H,37,42)/t26-,27+,30-,34?/m1/s1
InChIKey
RWEDBIPZSVMTHA-GOEFBFPWSA-N
Compound name
N-[3-[3-[(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]propyl]-4-azidobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

791.3164 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 792.32368 243.0
[M+Na]+ 814.30562 252.9
[M-H]- 790.30912 246.1
[M+NH4]+ 809.35022 248.9
[M+K]+ 830.27956 244.9
[M+H-H2O]+ 774.31366 231.5
[M+HCOO]- 836.31460 250.3
[M+CH3COO]- 850.33025 292.1
[M+Na-2H]- 812.29107 271.3
[M]+ 791.31585 279.5
[M]- 791.31695 279.5
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.