CID 1863010

374766-70-8

Structural Information

Molecular Formula
C27H20O3
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C4=C1C(=CO4)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C27H20O3/c1-16-14-23-25(20-8-5-9-21(20)27(28)30-23)26-24(16)22(15-29-26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKey
ULGBFOVMYOXYTA-UHFFFAOYSA-N
Compound name
7-methyl-5-(4-phenylphenyl)-3,10-dioxatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),4,7,12(16)-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14124 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14852 193.6
[M+Na]+ 415.13046 205.1
[M-H]- 391.13396 208.8
[M+NH4]+ 410.17506 208.8
[M+K]+ 431.10440 200.2
[M+H-H2O]+ 375.13850 186.1
[M+HCOO]- 437.13944 213.9
[M+CH3COO]- 451.15509 205.9
[M+Na-2H]- 413.11591 195.3
[M]+ 392.14069 199.0
[M]- 392.14179 199.0
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.