CID 3055598

2-(2-hydroxyethoxy)ethyl dl-2-(8-methyl-10,11-dihydro-11-oxodibenz(b,f)oxepin-2-yl)propionate

Structural Information

Molecular Formula
C22H24O6
SMILES
CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(C)C(=O)OCCOCCO)C(=O)C2
InChI
InChI=1S/C22H24O6/c1-14-3-5-20-17(11-14)13-19(24)18-12-16(4-6-21(18)28-20)15(2)22(25)27-10-9-26-8-7-23/h3-6,11-12,15,23H,7-10,13H2,1-2H3
InChIKey
DYDRMBNWRJVVFB-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.1573 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16458 188.5
[M+Na]+ 407.14652 198.4
[M+NH4]+ 402.19112 193.6
[M+K]+ 423.12046 194.2
[M-H]- 383.15002 190.3
[M+Na-2H]- 405.13197 190.2
[M]+ 384.15675 190.3
[M]- 384.15785 190.3
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

patents stripe