CID 2282705

3-(2-(naphthalen-2-yl)-2-oxoethoxy)-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C25H20O4
SMILES
C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)C4=CC5=CC=CC=C5C=C4)OC2=O
InChI
InChI=1S/C25H20O4/c26-23(18-10-9-16-5-1-2-6-17(16)13-18)15-28-19-11-12-21-20-7-3-4-8-22(20)25(27)29-24(21)14-19/h1-2,5-6,9-14H,3-4,7-8,15H2
InChIKey
UMLWKQJNWZBVSW-UHFFFAOYSA-N
Compound name
3-(2-naphthalen-2-yl-2-oxoethoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.143446 189.2
[M+Na]+ 407.125388 196.9
[M-H]- 383.128894 198.6
[M+NH4]+ 402.169993 201.5
[M+K]+ 423.099328 192.4
[M+H-H2O]+ 367.133430 178.3
[M+HCOO]- 429.134371 205.9
[M+CH3COO]- 443.150021 199.2
[M+Na-2H]- 405.110836 195.5
[M]+ 384.13562142 191.7
[M]- 384.13671858 191.7
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.