CID 2760173

2,3-naphtho-15-crown-5

Structural Information

Molecular Formula
C18H22O5
SMILES
C1COCCOC2=CC3=CC=CC=C3C=C2OCCOCCO1
InChI
InChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2
InChIKey
BDTDDXDRCOLVNJ-UHFFFAOYSA-N
Compound name
2,5,8,11,14-pentaoxatricyclo[13.8.0.017,22]tricosa-1(23),15,17,19,21-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

318.14673 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15401 168.6
[M+Na]+ 341.13595 181.7
[M+NH4]+ 336.18055 175.9
[M+K]+ 357.10989 176.1
[M-H]- 317.13945 179.2
[M+Na-2H]- 339.12140 172.4
[M]+ 318.14618 173.3
[M]- 318.14728 173.3
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