CID 5468151

Nsc665378

Structural Information

Molecular Formula
C21H16O2
SMILES
COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/C2
InChI
InChI=1S/C21H16O2/c1-23-18-9-10-20-16(13-18)12-17(21(20)22)11-15-7-4-6-14-5-2-3-8-19(14)15/h2-11,13H,12H2,1H3/b17-11+
InChIKey
VGOXKPBJKXWXJS-GZTJUZNOSA-N
Compound name
(2E)-5-methoxy-2-(naphthalen-1-ylmethylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 170.3
[M+Na]+ 323.10424 179.6
[M-H]- 299.10774 179.1
[M+NH4]+ 318.14884 189.3
[M+K]+ 339.07818 173.0
[M+H-H2O]+ 283.11228 162.6
[M+HCOO]- 345.11322 191.8
[M+CH3COO]- 359.12887 182.6
[M+Na-2H]- 321.08969 173.7
[M]+ 300.11447 171.3
[M]- 300.11557 171.3
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.