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 200.5
[M+Na]+ 411.26180 200.9
[M-H]- 387.26530 207.5
[M+NH4]+ 406.30640 207.4
[M+K]+ 427.23574 199.1
[M+H-H2O]+ 371.26984 187.6
[M+HCOO]- 433.27078 207.1
[M+CH3COO]- 447.28643 206.1
[M+Na-2H]- 409.24725 199.4
[M]+ 388.27203 192.7
[M]- 388.27313 192.7
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.