CID 468163

N-(9-amino-3,6-dioxa-7,7-dioxo-1-(1,1,2,2-tetramethyl-1-silapropoxy)-4-((1,1,2,2-tetramethyl-1-silapropoxy)methyl)-7-thiaspiro[4.4]non-8-en-2-yl)((4-methylthiophenyl)amino)formamide

Structural Information

Molecular Formula
C27H47N3O7S2Si2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)NC(=O)NC3=CC=C(C=C3)SC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C27H47N3O7S2Si2/c1-25(2,3)40(8,9)34-16-21-27(20(28)17-39(32,33)37-27)22(36-41(10,11)26(4,5)6)23(35-21)30-24(31)29-18-12-14-19(38-7)15-13-18/h12-15,17,21-23H,16,28H2,1-11H3,(H2,29,30,31)
InChIKey
LGGGOOLGQHXDIS-UHFFFAOYSA-N
Compound name
1-[4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3-(4-methylsulfanylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

645.2394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.24668 238.9
[M+Na]+ 668.22862 240.1
[M-H]- 644.23212 245.6
[M+NH4]+ 663.27322 245.9
[M+K]+ 684.20256 241.3
[M+H-H2O]+ 628.23666 236.9
[M+HCOO]- 690.23760 242.3
[M+CH3COO]- 704.25325 263.4
[M+Na-2H]- 666.21407 246.4
[M]+ 645.23885 247.6
[M]- 645.23995 247.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.