CID 37786

37574-47-3

Structural Information

Molecular Formula
C20H12O
SMILES
C1=CC=C2C3=C4C(=CC2=C1)C5C(O5)C6=CC=CC(=C64)C=C3
InChI
InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H
InChIKey
XGZQLNASOQVQTD-UHFFFAOYSA-N
Compound name
18-oxahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

18
Patents

268.0888 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.096076 156.5
[M+Na]+ 291.078018 169.1
[M-H]- 267.081524 164.5
[M+NH4]+ 286.122623 172.1
[M+K]+ 307.051958 163.4
[M+H-H2O]+ 251.086060 147.2
[M+HCOO]- 313.087001 173.2
[M+CH3COO]- 327.102651 168.9
[M+Na-2H]- 289.063466 168.8
[M]+ 268.08825142 163.1
[M]- 268.08934858 163.1
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