CID 210174

1,1-cyclopentanediacetimide, n-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H33N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)CC4(CCCC4)CC3=O
InChI
InChI=1S/C23H33N3O3/c1-29-20-8-3-2-7-19(20)25-15-13-24(14-16-25)11-6-12-26-21(27)17-23(18-22(26)28)9-4-5-10-23/h2-3,7-8H,4-6,9-18H2,1H3
InChIKey
NGKZRYQYMHFGRK-UHFFFAOYSA-N
Compound name
8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.2522 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.25948 201.5
[M+Na]+ 422.24142 203.8
[M-H]- 398.24492 206.9
[M+NH4]+ 417.28602 211.2
[M+K]+ 438.21536 198.5
[M+H-H2O]+ 382.24946 189.0
[M+HCOO]- 444.25040 211.3
[M+CH3COO]- 458.26605 207.5
[M+Na-2H]- 420.22687 197.0
[M]+ 399.25165 194.4
[M]- 399.25275 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.