CID 5702490

148090-24-8

Structural Information

Molecular Formula
C19H18O2
SMILES
CCOC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O2/c1-2-21-17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-8,11-13H,2,9-10H2,1H3/b16-13+
InChIKey
DYGMQSSRLXYBCP-DTQAZKPQSA-N
Compound name
(2E)-2-[(4-ethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2
Patents

278.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 164.4
[M+Na]+ 301.11990 171.5
[M-H]- 277.12340 171.5
[M+NH4]+ 296.16450 181.3
[M+K]+ 317.09384 166.1
[M+H-H2O]+ 261.12794 156.3
[M+HCOO]- 323.12888 184.7
[M+CH3COO]- 337.14453 200.6
[M+Na-2H]- 299.10535 168.7
[M]+ 278.13013 163.4
[M]- 278.13123 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe