CID 373245

Dibenzo-15-crown 5-ether

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

429
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 168.4
[M+Na]+ 339.12029 173.3
[M-H]- 315.12379 174.6
[M+NH4]+ 334.16489 174.4
[M+K]+ 355.09423 177.5
[M+H-H2O]+ 299.12833 165.2
[M+HCOO]- 361.12927 180.1
[M+CH3COO]- 375.14492 177.9
[M+Na-2H]- 337.10574 176.9
[M]+ 316.13052 165.8
[M]- 316.13162 165.8
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.