CID 496598

Nsc694912

Structural Information

Molecular Formula
C30H37N3O9Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN(C(=O)OC3=CC=CC=C3)OC(=O)OC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H37N3O9Si/c1-20-18-32(27(35)31-26(20)34)25-17-23(42-43(5,6)30(2,3)4)24(40-25)19-33(28(36)38-21-13-9-7-10-14-21)41-29(37)39-22-15-11-8-12-16-22/h7-16,18,23-25H,17,19H2,1-6H3,(H,31,34,35)/t23-,24+,25+/m0/s1
InChIKey
BXPXKOKBRVMZRF-ISJGIBHGSA-N
Compound name
[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-phenoxycarbonylamino] phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.2299 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.23718 238.5
[M+Na]+ 634.21912 240.0
[M-H]- 610.22262 249.2
[M+NH4]+ 629.26372 237.4
[M+K]+ 650.19306 241.4
[M+H-H2O]+ 594.22716 227.3
[M+HCOO]- 656.22810 250.7
[M+CH3COO]- 670.24375 258.0
[M+Na-2H]- 632.20457 237.3
[M]+ 611.22935 245.1
[M]- 611.23045 245.1
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.