CID 9799417

432047-72-8

Structural Information

Molecular Formula
C26H24O2
SMILES
CCCCCOC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
InChIKey
RSUMDJRTAFBISX-UHFFFAOYSA-N
Compound name
naphthalen-1-yl-(4-pentoxynaphthalen-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

111
Patents

368.17764 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18492 191.9
[M+Na]+ 391.16686 199.1
[M-H]- 367.17036 199.7
[M+NH4]+ 386.21146 205.6
[M+K]+ 407.14080 192.2
[M+H-H2O]+ 351.17490 181.6
[M+HCOO]- 413.17584 212.1
[M+CH3COO]- 427.19149 201.8
[M+Na-2H]- 389.15231 196.7
[M]+ 368.17709 195.8
[M]- 368.17819 195.8
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