CID 155802203

(4z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione

Structural Information

Molecular Formula
C21H37NO3
SMILES
CC1CCC(CC(OC(=O)C/C=C\N(C(=O)C(C1)C)C)C(C)(C)C)C
InChI
InChI=1S/C21H37NO3/c1-15-10-11-16(2)14-18(21(4,5)6)25-19(23)9-8-12-22(7)20(24)17(3)13-15/h8,12,15-18H,9-11,13-14H2,1-7H3/b12-8-
InChIKey
MUPORQMYFNQMDE-WQLSENKSSA-N
Compound name
(4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.27734 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.28462 184.7
[M+Na]+ 374.26656 190.1
[M-H]- 350.27006 186.2
[M+NH4]+ 369.31116 193.5
[M+K]+ 390.24050 189.0
[M+H-H2O]+ 334.27460 182.1
[M+HCOO]- 396.27554 195.8
[M+CH3COO]- 410.29119 211.2
[M+Na-2H]- 372.25201 181.2
[M]+ 351.27679 180.2
[M]- 351.27789 180.2
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.