CID 11125630

84256-97-3

Structural Information

Molecular Formula
C47H84N4O5
SMILES
CC1(CC2(CC(N1)(C)C)C(=O)N(C3(O2)CCCCCCCCCCC3)CC(CN4C(=O)C5(CC(NC(C5)(C)C)(C)C)OC46CCCCCCCCCCC6)O)C
InChI
InChI=1S/C47H84N4O5/c1-40(2)33-44(34-41(3,4)48-40)38(53)50(46(55-44)27-23-19-15-11-9-12-16-20-24-28-46)31-37(52)32-51-39(54)45(35-42(5,6)49-43(7,8)36-45)56-47(51)29-25-21-17-13-10-14-18-22-26-30-47/h37,48-49,52H,9-36H2,1-8H3
InChIKey
TYKXEXOKIKGRAJ-UHFFFAOYSA-N
Compound name
20-[2-hydroxy-3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propyl]-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

784.64417 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.65145 274.1
[M+Na]+ 807.63339 270.8
[M-H]- 783.63689 271.8
[M+NH4]+ 802.67799 273.3
[M+K]+ 823.60733 271.1
[M+H-H2O]+ 767.64143 267.3
[M+HCOO]- 829.64237 257.3
[M+CH3COO]- 843.65802 268.2
[M+Na-2H]- 805.61884 258.2
[M]+ 784.64362 253.0
[M]- 784.64472 253.0
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

patents stripe