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 257.8
[M+Na]+ 807.63339 256.5
[M+NH4]+ 802.67799 266.4
[M+K]+ 823.60733 244.9
[M-H]- 783.63689 261.4
[M+Na-2H]- 805.61884 262.1
[M]+ 784.64362 258.6
[M]- 784.64472 258.6
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