CID 468102

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dioxo-1-(piperazin-1-ylmethyl)-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H39N5O7SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CN4CCNCC4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H39N5O7SSi/c1-15-12-28(21(30)26(5)19(15)29)20-18(34-37(6,7)22(2,3)4)23(16(24)14-36(31,32)35-23)17(33-20)13-27-10-8-25-9-11-27/h12,14,17-18,20,25H,8-11,13,24H2,1-7H3/t17-,18+,20-,23?/m1/s1
InChIKey
UHQMJPLQPMAUGT-MLYQTBBXSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-(piperazin-1-ylmethyl)-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.23395 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.24123 224.8
[M+Na]+ 580.22317 231.6
[M-H]- 556.22667 231.6
[M+NH4]+ 575.26777 229.6
[M+K]+ 596.19711 230.7
[M+H-H2O]+ 540.23121 219.9
[M+HCOO]- 602.23215 227.6
[M+CH3COO]- 616.24780 246.0
[M+Na-2H]- 578.20862 223.3
[M]+ 557.23340 228.7
[M]- 557.23450 228.7
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.