CID 93780

57718-48-6

Structural Information

Molecular Formula
C23H30FN3O2
SMILES
C1CN(CCC1NC2=CC=C(C=C2)N)CCCC3(OCCO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H30FN3O2/c24-19-4-2-18(3-5-19)23(28-16-17-29-23)12-1-13-27-14-10-22(11-15-27)26-21-8-6-20(25)7-9-21/h2-9,22,26H,1,10-17,25H2
InChIKey
HJFIMMPGFZUPEU-UHFFFAOYSA-N
Compound name
4-N-[1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-yl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.2322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23948 201.3
[M+Na]+ 422.22142 211.5
[M+NH4]+ 417.26602 209.2
[M+K]+ 438.19536 203.9
[M-H]- 398.22492 210.2
[M+Na-2H]- 420.20687 208.5
[M]+ 399.23165 205.2
[M]- 399.23275 205.2
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.