CID 5274643

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

Structural Information

Molecular Formula
C32H48N4O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2C(C3(C(O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C32H48N4O10SSi2/c1-20-18-36(29(40)35(8)25(20)38)26-23(44-48(9,10)30(2,3)4)32(27(43-26)45-49(11,12)31(5,6)7)22(19-47(41,42)46-32)33-28(39)34-24(37)21-16-14-13-15-17-21/h13-19,23,26-27H,1-12H3,(H2,33,34,37,39)/t23?,26-,27?,32?/m1/s1
InChIKey
IEQQENIZROUARD-URVGBWFSSA-N
Compound name
N-[[(8R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-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]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

736.26294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.27022 228.3
[M+Na]+ 759.25216 238.1
[M-H]- 735.25566 230.6
[M+NH4]+ 754.29676 232.7
[M+K]+ 775.22610 226.7
[M+H-H2O]+ 719.26020 215.0
[M+HCOO]- 781.26114 234.6
[M+CH3COO]- 795.27679 280.3
[M+Na-2H]- 757.23761 244.0
[M]+ 736.26239 249.1
[M]- 736.26349 249.1
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.