CID 6912319

79535-60-7

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCN(CC)CCOC(=O)/C=C/1\CC2C(C=C1)(C3=C(O2)C=CC(=C3)C)C
InChI
InChI=1S/C22H29NO3/c1-5-23(6-2)11-12-25-21(24)15-17-9-10-22(4)18-13-16(3)7-8-19(18)26-20(22)14-17/h7-10,13,15,20H,5-6,11-12,14H2,1-4H3/b17-15-
InChIKey
GMOZQPDMFTYGET-ICFOKQHNSA-N
Compound name
2-(diethylamino)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

355.21475 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 188.0
[M+Na]+ 378.20397 198.2
[M+NH4]+ 373.24857 197.0
[M+K]+ 394.17791 191.0
[M-H]- 354.20747 191.7
[M+Na-2H]- 376.18942 191.0
[M]+ 355.21420 190.6
[M]- 355.21530 190.6
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.