CID 118295270

Direclidine

Structural Information

Molecular Formula
C19H30N4O2
SMILES
CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(CC3)C4=CC=NN4C
InChI
InChI=1S/C19H30N4O2/c1-3-25-18(24)23-11-7-19(14-23)12-16(13-19)22-9-5-15(6-10-22)17-4-8-20-21(17)2/h4,8,15-16H,3,5-7,9-14H2,1-2H3
InChIKey
HEJAEKBVOZHTRA-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

346.23688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.244156 182.4
[M+Na]+ 369.226098 185.0
[M-H]- 345.229604 187.7
[M+NH4]+ 364.270703 189.2
[M+K]+ 385.200038 184.5
[M+H-H2O]+ 329.234140 167.5
[M+HCOO]- 391.235081 193.5
[M+CH3COO]- 405.250731 212.4
[M+Na-2H]- 367.211546 177.2
[M]+ 346.23633142 186.4
[M]- 346.23742858 186.4
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

patents stripe