CID 6477491

Nsc674470

Structural Information

Molecular Formula
C37H42N2O7Si
SMILES
CC(C)(C)[Si](C)(C)OC\1C(OC(/C1=C\C(=O)OC)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC(=O)NC5=O
InChI
InChI=1S/C37H42N2O7Si/c1-36(2,3)47(5,6)46-33-29(24-32(41)43-4)30(45-34(33)39-23-22-31(40)38-35(39)42)25-44-37(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-24,30,33-34H,25H2,1-6H3,(H,38,40,42)/b29-24+
InChIKey
VKEKYTLNBHCESD-RMLRFSFXSA-N
Compound name
methyl (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

654.2761 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.28338 254.5
[M+Na]+ 677.26532 255.6
[M-H]- 653.26882 265.9
[M+NH4]+ 672.30992 250.7
[M+K]+ 693.23926 252.7
[M+H-H2O]+ 637.27336 241.8
[M+HCOO]- 699.27430 262.4
[M+CH3COO]- 713.28995 262.6
[M+Na-2H]- 675.25077 253.2
[M]+ 654.27555 257.0
[M]- 654.27665 257.0
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.