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

28
Patents

346.23688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24416 182.4
[M+Na]+ 369.22610 185.0
[M-H]- 345.22960 187.7
[M+NH4]+ 364.27070 189.2
[M+K]+ 385.20004 184.5
[M+H-H2O]+ 329.23414 167.5
[M+HCOO]- 391.23508 193.5
[M+CH3COO]- 405.25073 212.4
[M+Na-2H]- 367.21155 177.2
[M]+ 346.23633 186.4
[M]- 346.23743 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