CID 155802342

(4z,13e)-15-tert-butyl-13-(chloromethylidene)-6,8-dimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione

Structural Information

Molecular Formula
C20H32ClNO3
SMILES
CC1CCCC/C(=C\Cl)/CC(OC(=O)C/C=C\N(C1=O)C)C(C)(C)C
InChI
InChI=1S/C20H32ClNO3/c1-15-9-6-7-10-16(14-21)13-17(20(2,3)4)25-18(23)11-8-12-22(5)19(15)24/h8,12,14-15,17H,6-7,9-11,13H2,1-5H3/b12-8-,16-14+
InChIKey
TXSKGOYJIQLKGC-DXYNANAWSA-N
Compound name
(4Z,13E)-15-tert-butyl-13-(chloromethylidene)-6,8-dimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.20706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21434 188.2
[M+Na]+ 392.19628 194.1
[M-H]- 368.19978 189.4
[M+NH4]+ 387.24088 196.8
[M+K]+ 408.17022 190.8
[M+H-H2O]+ 352.20432 185.7
[M+HCOO]- 414.20526 195.2
[M+CH3COO]- 428.22091 209.1
[M+Na-2H]- 390.18173 185.1
[M]+ 369.20651 184.1
[M]- 369.20761 184.1
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.