CID 5378199

55723-88-1

Structural Information

Molecular Formula
C21H16O
SMILES
C1C/C(=C\C2=CC3=CC=CC=C3C=C2)/C(=O)C4=CC=CC=C41
InChI
InChI=1S/C21H16O/c22-21-19(12-11-17-6-3-4-8-20(17)21)14-15-9-10-16-5-1-2-7-18(16)13-15/h1-10,13-14H,11-12H2/b19-14+
InChIKey
DHBQSDWBFACOPT-XMHGGMMESA-N
Compound name
(2E)-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

284.12012 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12740 165.4
[M+Na]+ 307.10934 173.0
[M-H]- 283.11284 173.2
[M+NH4]+ 302.15394 182.7
[M+K]+ 323.08328 165.8
[M+H-H2O]+ 267.11738 156.6
[M+HCOO]- 329.11832 184.5
[M+CH3COO]- 343.13397 176.7
[M+Na-2H]- 305.09479 171.5
[M]+ 284.11957 162.2
[M]- 284.12067 162.2
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