CID 2697127

(e)-3,4-dihydro-2-((4-ethylphenyl)methylene)-1(2h)-naphthalenone

Structural Information

Molecular Formula
C19H18O
SMILES
CCC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O/c1-2-14-7-9-15(10-8-14)13-17-12-11-16-5-3-4-6-18(16)19(17)20/h3-10,13H,2,11-12H2,1H3/b17-13+
InChIKey
AWBMUWOCKJEREE-GHRIWEEISA-N
Compound name
(2E)-2-[(4-ethylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

262.13577 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14305 160.8
[M+Na]+ 285.12499 168.1
[M-H]- 261.12849 168.0
[M+NH4]+ 280.16959 178.5
[M+K]+ 301.09893 162.0
[M+H-H2O]+ 245.13303 153.0
[M+HCOO]- 307.13397 181.0
[M+CH3COO]- 321.14962 172.6
[M+Na-2H]- 283.11044 165.2
[M]+ 262.13522 158.5
[M]- 262.13632 158.5
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