CID 155802396

Dtxsid001186902

Structural Information

Molecular Formula
C20H35NO3
SMILES
CC1CCCCC(C(=O)N(/C=C\CC(=O)OC(C1)C(C)(C)C)C)C
InChI
InChI=1S/C20H35NO3/c1-15-10-7-8-11-16(2)19(23)21(6)13-9-12-18(22)24-17(14-15)20(3,4)5/h9,13,15-17H,7-8,10-12,14H2,1-6H3/b13-9-
InChIKey
WJVLPAKNVBCNQF-LCYFTJDESA-N
Compound name
(4Z)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.26898 181.0
[M+Na]+ 360.25092 185.8
[M-H]- 336.25442 182.3
[M+NH4]+ 355.29552 190.1
[M+K]+ 376.22486 185.0
[M+H-H2O]+ 320.25896 178.2
[M+HCOO]- 382.25990 192.4
[M+CH3COO]- 396.27555 206.9
[M+Na-2H]- 358.23637 178.6
[M]+ 337.26115 175.7
[M]- 337.26225 175.7
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.