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]+ 356.222026 189.2
[M+Na]+ 378.203968 194.8
[M-H]- 354.207474 195.5
[M+NH4]+ 373.248573 207.1
[M+K]+ 394.177908 192.2
[M+H-H2O]+ 338.212010 182.3
[M+HCOO]- 400.212951 207.2
[M+CH3COO]- 414.228601 221.4
[M+Na-2H]- 376.189416 190.4
[M]+ 355.21420142 193.5
[M]- 355.21529858 193.5
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.