CID 626432

66750-10-5

Structural Information

Molecular Formula
C16H25NO4
SMILES
C1COCCOCCOCCOCCN1C2=CC=CC=C2
InChI
InChI=1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2
InChIKey
SGDQOAKAHLFKBV-UHFFFAOYSA-N
Compound name
13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

76
Patents

295.17834 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18562 166.4
[M+Na]+ 318.16756 177.6
[M+NH4]+ 313.21216 172.5
[M+K]+ 334.14150 172.6
[M-H]- 294.17106 175.7
[M+Na-2H]- 316.15301 171.9
[M]+ 295.17779 170.3
[M]- 295.17889 170.3
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