CID 375484

Nsc655266

Structural Information

Molecular Formula
C19H26O7
SMILES
C=CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2
InChI
InChI=1S/C19H26O7/c1-2-17(20)16-3-4-18-19(15-16)26-14-12-24-10-8-22-6-5-21-7-9-23-11-13-25-18/h2-4,15H,1,5-14H2
InChIKey
GFTQASVZKKIMHH-UHFFFAOYSA-N
Compound name
1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.16785 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17513 185.2
[M+Na]+ 389.15707 187.0
[M-H]- 365.16057 191.1
[M+NH4]+ 384.20167 186.3
[M+K]+ 405.13101 192.8
[M+H-H2O]+ 349.16511 183.0
[M+HCOO]- 411.16605 193.0
[M+CH3COO]- 425.18170 204.7
[M+Na-2H]- 387.14252 189.0
[M]+ 366.16730 181.1
[M]- 366.16840 181.1
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.