CID 113404

63665-87-2

Structural Information

Molecular Formula
C21H18O
SMILES
CC1=C2CCCC2=C(C=C1)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H18O/c1-14-12-13-20(18-10-5-9-16(14)18)21(22)19-11-4-7-15-6-2-3-8-17(15)19/h2-4,6-8,11-13H,5,9-10H2,1H3
InChIKey
GZCQYBBVUZYWNO-UHFFFAOYSA-N
Compound name
(7-methyl-2,3-dihydro-1H-inden-4-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13577 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14305 167.7
[M+Na]+ 309.12499 183.6
[M+NH4]+ 304.16959 178.6
[M+K]+ 325.09893 175.5
[M-H]- 285.12849 174.2
[M+Na-2H]- 307.11044 176.1
[M]+ 286.13522 172.1
[M]- 286.13632 172.1
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.