CID 6434761

2-(diethylamino)ethyl 9-fluoreneacrylate hydrochloride

Structural Information

Molecular Formula
C22H25NO2
SMILES
CCN(CC)CCOC(=O)/C=C/C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO2/c1-3-23(4-2)15-16-25-22(24)14-13-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-14,21H,3-4,15-16H2,1-2H3/b14-13+
InChIKey
ODQOURKAYZZSDC-BUHFOSPRSA-N
Compound name
2-(diethylamino)ethyl (E)-3-(9H-fluoren-9-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 184.7
[M+Na]+ 358.17776 190.3
[M-H]- 334.18126 190.5
[M+NH4]+ 353.22236 202.5
[M+K]+ 374.15170 185.6
[M+H-H2O]+ 318.18580 176.8
[M+HCOO]- 380.18674 206.4
[M+CH3COO]- 394.20239 217.7
[M+Na-2H]- 356.16321 186.4
[M]+ 335.18799 189.1
[M]- 335.18909 189.1
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.