CID 380050

Nsc665346

Structural Information

Molecular Formula
C38H72N8O8
SMILES
CC1(CNCC2(C(=O)NC(CNCC(C(=O)N1)(OCCCOC3(CNCC(NC(=O)C(CNCC(NC3=O)(C)C)(OCCCO2)C)(C)C)C)C)(C)C)C)C
InChI
InChI=1S/C38H72N8O8/c1-31(2)19-39-23-36(10)28(48)44-32(3,4)20-40-24-35(9,27(47)43-31)51-15-13-17-53-37(11)25-41-21-34(7,8)46-30(50)38(12,54-18-14-16-52-36)26-42-22-33(5,6)45-29(37)49/h39-42H,13-26H2,1-12H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)
InChIKey
RUVBFEQNSBXCAX-UHFFFAOYSA-N
Compound name
1,7,10,10,14,20,23,23,29,29,35,35-dodecamethyl-2,6,15,19-tetraoxa-9,12,22,25,28,31,34,37-octazatricyclo[18.6.6.67,14]octatriacontane-8,21,27,33-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

768.5473 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.55458 277.9
[M+Na]+ 791.53652 284.6
[M-H]- 767.54002 269.1
[M+NH4]+ 786.58112 275.9
[M+K]+ 807.51046 259.6
[M+H-H2O]+ 751.54456 263.3
[M+HCOO]- 813.54550 276.9
[M+CH3COO]- 827.56115 278.8
[M+Na-2H]- 789.52197 271.2
[M]+ 768.54675 276.6
[M]- 768.54785 276.6
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

No patent data available for this compound.