CID 489864

N-(n-{8-(3,5-dimethyl-2,4-dioxo(1,3-dihydropyrimidinyl))-3,3-dioxo-9-(1,1,2,2-tetramethyl-1-silapropoxy)-6-[(1,1,2,2-tetramethyl-1-silapropoxy)methyl]-4,7-dioxa-3-thiaspiro[4.4]non-1-enyl}carbamoyl)-2-methylprop-2-enamide

Structural Information

Molecular Formula
C30H50N4O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)NC(=O)C(=C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H50N4O10SSi2/c1-18(2)23(35)32-26(37)31-20-17-45(39,40)44-30(20)21(16-41-46(11,12)28(4,5)6)42-25(22(30)43-47(13,14)29(7,8)9)34-15-19(3)24(36)33(10)27(34)38/h15,17,21-22,25H,1,16H2,2-14H3,(H2,31,32,35,37)/t21-,22+,25-,30?/m1/s1
InChIKey
WSCQSQZUQMXYOH-QPZUSOIASA-N
Compound name
N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

714.2786 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.28588 218.1
[M+Na]+ 737.26782 226.4
[M-H]- 713.27132 220.2
[M+NH4]+ 732.31242 222.0
[M+K]+ 753.24176 215.5
[M+H-H2O]+ 697.27586 206.0
[M+HCOO]- 759.27680 224.2
[M+CH3COO]- 773.29245 278.2
[M+Na-2H]- 735.25327 235.3
[M]+ 714.27805 236.7
[M]- 714.27915 236.7
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.