CID 13711400

103840-71-7

Structural Information

Molecular Formula
C18H30N4O
SMILES
CC1CN(CC(O1)C)CCCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C18H30N4O/c1-16-14-21(15-17(2)23-16)9-5-8-20-10-12-22(13-11-20)18-6-3-4-7-19-18/h3-4,6-7,16-17H,5,8-15H2,1-2H3
InChIKey
LETVEQSFSJYFML-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.24197 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.24925 184.5
[M+Na]+ 341.23119 187.3
[M-H]- 317.23469 187.0
[M+NH4]+ 336.27579 191.2
[M+K]+ 357.20513 183.4
[M+H-H2O]+ 301.23923 171.5
[M+HCOO]- 363.24017 193.7
[M+CH3COO]- 377.25582 191.2
[M+Na-2H]- 339.21664 184.5
[M]+ 318.24142 178.6
[M]- 318.24252 178.6
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.