CID 6912316

79525-37-4

Structural Information

Molecular Formula
C20H25NO3
SMILES
CC1=CC2=C(C=C1)OC3C2(C=C/C(=C/C(=O)OCCN(C)C)/C3)C
InChI
InChI=1S/C20H25NO3/c1-14-5-6-17-16(11-14)20(2)8-7-15(12-18(20)24-17)13-19(22)23-10-9-21(3)4/h5-8,11,13,18H,9-10,12H2,1-4H3/b15-13-
InChIKey
KLAJJCIIFWSFNY-SQFISAMPSA-N
Compound name
2-(dimethylamino)ethyl (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

327.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 179.0
[M+Na]+ 350.17266 189.6
[M+NH4]+ 345.21726 188.3
[M+K]+ 366.14660 182.9
[M-H]- 326.17616 182.9
[M+Na-2H]- 348.15811 182.6
[M]+ 327.18289 181.7
[M]- 327.18399 181.7
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.