CID 350794

100569-82-2

Structural Information

Molecular Formula
C24H18O4
SMILES
CC(=O)OC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC(=O)C
InChI
InChI=1S/C24H18O4/c1-15(25)27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16(2)26/h3-14H,1-2H3
InChIKey
ATCPATYOODPQCO-UHFFFAOYSA-N
Compound name
[1-(2-acetyloxynaphthalen-1-yl)naphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

86
Patents

370.1205 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12778 188.0
[M+Na]+ 393.10972 196.7
[M-H]- 369.11322 196.8
[M+NH4]+ 388.15432 201.7
[M+K]+ 409.08366 192.0
[M+H-H2O]+ 353.11776 178.2
[M+HCOO]- 415.11870 208.4
[M+CH3COO]- 429.13435 198.9
[M+Na-2H]- 391.09517 192.4
[M]+ 370.11995 193.2
[M]- 370.12105 193.2
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