CID 373245

Dibenzo-15-crown-5

Structural Information

Molecular Formula
C18H20O5
SMILES
C1COC2=CC=CC=C2OCCOC3=CC=CC=C3OCCO1
InChI
InChI=1S/C18H20O5/c1-3-7-17-15(5-1)20-11-9-19-10-12-21-16-6-2-4-8-18(16)23-14-13-22-17/h1-8H,9-14H2
InChIKey
QSBFECWPKSRWNM-UHFFFAOYSA-N
Compound name
2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

635
Patents

316.13107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 166.9
[M+Na]+ 339.12029 181.0
[M+NH4]+ 334.16489 174.3
[M+K]+ 355.09423 175.2
[M-H]- 315.12379 177.7
[M+Na-2H]- 337.10574 171.7
[M]+ 316.13052 171.9
[M]- 316.13162 171.9
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