CID 6912318

79525-39-6

Structural Information

Molecular Formula
C22H27NO4
SMILES
CC1=CC2=C(C=C1)OC3C2(C=C/C(=C/C(=O)OCCN4CCOCC4)/C3)C
InChI
InChI=1S/C22H27NO4/c1-16-3-4-19-18(13-16)22(2)6-5-17(14-20(22)27-19)15-21(24)26-12-9-23-7-10-25-11-8-23/h3-6,13,15,20H,7-12,14H2,1-2H3/b17-15-
InChIKey
KJDJAQYBSCFLJU-ICFOKQHNSA-N
Compound name
2-morpholin-4-ylethyl (2E)-2-(8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.194 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.1
[M+Na]+ 392.18322 194.8
[M-H]- 368.18672 196.8
[M+NH4]+ 387.22782 203.5
[M+K]+ 408.15716 192.4
[M+H-H2O]+ 352.19126 181.5
[M+HCOO]- 414.19220 201.5
[M+CH3COO]- 428.20785 198.8
[M+Na-2H]- 390.16867 190.9
[M]+ 369.19345 189.5
[M]- 369.19455 189.5
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.