CID 385832

Morpholine, 4,4'-(hexahydro-2,6,3,5-ethanediylidene-2h-pentaleno(1,6-bc)furan-2,6a(2ah)-diyl)bis-

Structural Information

Molecular Formula
C19H26N2O3
SMILES
C1COCCN1C23C4C5CC6C4C(O2)(C7C6C5C37)N8CCOCC8
InChI
InChI=1S/C19H26N2O3/c1-5-22-6-2-20(1)18-14-10-9-11-13-12(10)16(18)17(13)19(24-18,15(11)14)21-3-7-23-8-4-21/h10-17H,1-9H2
InChIKey
PAVVWRIOHJQCFS-UHFFFAOYSA-N
Compound name
4-(6-morpholin-4-yl-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19434 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 144.1
[M+Na]+ 353.18356 144.4
[M-H]- 329.18706 150.9
[M+NH4]+ 348.22816 164.3
[M+K]+ 369.15750 146.7
[M+H-H2O]+ 313.19160 140.6
[M+HCOO]- 375.19254 147.3
[M+CH3COO]- 389.20819 153.1
[M+Na-2H]- 351.16901 138.9
[M]+ 330.19379 156.4
[M]- 330.19489 156.4
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.