CID 134440

Bindon ethyl ether

Structural Information

Molecular Formula
C20H14O3
SMILES
CCOC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C41
InChI
InChI=1S/C20H14O3/c1-2-23-17-11-16(12-7-3-4-8-13(12)17)18-19(21)14-9-5-6-10-15(14)20(18)22/h3-11H,2H2,1H3
InChIKey
CBZKWHITHXAHHM-UHFFFAOYSA-N
Compound name
2-(3-ethoxyinden-1-ylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.0943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10158 169.8
[M+Na]+ 325.08352 180.5
[M-H]- 301.08702 179.6
[M+NH4]+ 320.12812 190.9
[M+K]+ 341.05746 174.4
[M+H-H2O]+ 285.09156 163.9
[M+HCOO]- 347.09250 192.9
[M+CH3COO]- 361.10815 183.1
[M+Na-2H]- 323.06897 170.6
[M]+ 302.09375 172.7
[M]- 302.09485 172.7
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

patents stripe