CID 326421

64379-58-4

Structural Information

Molecular Formula
C15H19NO7
SMILES
C1COCCOC(=O)C2=NC(=CC=C2)C(=O)OCCOCCO1
InChI
InChI=1S/C15H19NO7/c17-14-12-2-1-3-13(16-12)15(18)23-11-9-21-7-5-19-4-6-20-8-10-22-14/h1-3H,4-11H2
InChIKey
KXFRDWHDUWAFOL-UHFFFAOYSA-N
Compound name
3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.11615 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12343 169.2
[M+Na]+ 348.10537 173.8
[M-H]- 324.10887 172.9
[M+NH4]+ 343.14997 172.9
[M+K]+ 364.07931 179.0
[M+H-H2O]+ 308.11341 166.2
[M+HCOO]- 370.11435 178.7
[M+CH3COO]- 384.13000 177.9
[M+Na-2H]- 346.09082 175.7
[M]+ 325.11560 166.4
[M]- 325.11670 166.4
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.