CID 13370206

97306-30-4

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CC3COC4(CCCCC4)C(O3)C
InChI
InChI=1S/C23H36N2O3/c1-3-26-22-10-6-5-9-21(22)25-15-13-24(14-16-25)17-20-18-27-23(19(2)28-20)11-7-4-8-12-23/h5-6,9-10,19-20H,3-4,7-8,11-18H2,1-2H3
InChIKey
MXYAWCPUYOMHLO-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-4-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 201.0
[M+Na]+ 411.26180 212.7
[M+NH4]+ 406.30640 209.7
[M+K]+ 427.23574 203.1
[M-H]- 387.26530 209.6
[M+Na-2H]- 409.24725 206.9
[M]+ 388.27203 205.2
[M]- 388.27313 205.2
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.