CID 13711398

103840-67-1

Structural Information

Molecular Formula
C18H30N4
SMILES
C1CCCN(CC1)CCCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C18H30N4/c1-2-6-11-20(10-5-1)12-7-13-21-14-16-22(17-15-21)18-8-3-4-9-19-18/h3-4,8-9H,1-2,5-7,10-17H2
InChIKey
APQALFBHADRHOJ-UHFFFAOYSA-N
Compound name
1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.24704 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.25432 176.3
[M+Na]+ 325.23626 176.5
[M-H]- 301.23976 178.6
[M+NH4]+ 320.28086 183.8
[M+K]+ 341.21020 175.2
[M+H-H2O]+ 285.24430 162.4
[M+HCOO]- 347.24524 186.2
[M+CH3COO]- 361.26089 182.2
[M+Na-2H]- 323.22171 177.2
[M]+ 302.24649 165.1
[M]- 302.24759 165.1
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

No patent data available for this compound.