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 189.2
[M+Na]+ 378.20397 194.8
[M-H]- 354.20747 195.5
[M+NH4]+ 373.24857 207.1
[M+K]+ 394.17791 192.2
[M+H-H2O]+ 338.21201 182.3
[M+HCOO]- 400.21295 207.2
[M+CH3COO]- 414.22860 221.4
[M+Na-2H]- 376.18942 190.4
[M]+ 355.21420 193.5
[M]- 355.21530 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.