CID 78372

Pp-407

Structural Information

Molecular Formula
C24H32N4O2
SMILES
C1CCN(CC1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC(=O)N4CCCCC4
InChI
InChI=1S/C24H32N4O2/c29-23(27-11-3-1-4-12-27)19-25-15-7-21(8-16-25)22-9-17-26(18-10-22)20-24(30)28-13-5-2-6-14-28/h7-10,15-18H,1-6,11-14,19-20H2/q+2
InChIKey
ABBSTRJSFGINGQ-UHFFFAOYSA-N
Compound name
2-[4-[1-(2-oxo-2-piperidin-1-ylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

408.25253 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.25981 208.7
[M+Na]+ 431.24175 207.6
[M-H]- 407.24525 213.3
[M+NH4]+ 426.28635 210.7
[M+K]+ 447.21569 190.8
[M+H-H2O]+ 391.24979 198.9
[M+HCOO]- 453.25073 215.5
[M+CH3COO]- 467.26638 208.9
[M+Na-2H]- 429.22720 211.0
[M]+ 408.25198 197.1
[M]- 408.25308 197.1
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