CID 355252

Nsc608563

Structural Information

Molecular Formula
C20H32N4O2
SMILES
C1CN2CCC1CC2C(=O)N3CCN(CC3)C(=O)C4CC5CCN4CC5
InChI
InChI=1S/C20H32N4O2/c25-19(17-13-15-1-5-21(17)6-2-15)23-9-11-24(12-10-23)20(26)18-14-16-3-7-22(18)8-4-16/h15-18H,1-14H2
InChIKey
LMFLIIISBCCELP-UHFFFAOYSA-N
Compound name
[4-(1-azabicyclo[2.2.2]octane-2-carbonyl)piperazin-1-yl]-(1-azabicyclo[2.2.2]octan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.25253 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.25981 170.6
[M+Na]+ 383.24175 163.6
[M-H]- 359.24525 158.4
[M+NH4]+ 378.28635 182.6
[M+K]+ 399.21569 160.0
[M+H-H2O]+ 343.24979 157.5
[M+HCOO]- 405.25073 158.2
[M+CH3COO]- 419.26638 170.5
[M+Na-2H]- 381.22720 175.6
[M]+ 360.25198 163.7
[M]- 360.25308 163.7
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.