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

73
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 167.6
[M-H]- 294.17106 170.8
[M+NH4]+ 313.21216 170.7
[M+K]+ 334.14150 171.4
[M+H-H2O]+ 278.17560 161.6
[M+HCOO]- 340.17654 177.3
[M+CH3COO]- 354.19219 174.3
[M+Na-2H]- 316.15301 170.9
[M]+ 295.17779 158.5
[M]- 295.17889 158.5
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.