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 168.0
[M+Na]+ 309.12499 175.9
[M-H]- 285.12849 176.5
[M+NH4]+ 304.16959 187.3
[M+K]+ 325.09893 169.6
[M+H-H2O]+ 269.13303 160.4
[M+HCOO]- 331.13397 188.2
[M+CH3COO]- 345.14962 179.9
[M+Na-2H]- 307.11044 170.9
[M]+ 286.13522 167.4
[M]- 286.13632 167.4
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.