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 197.2
[M+Na]+ 422.22142 199.6
[M-H]- 398.22492 206.4
[M+NH4]+ 417.26602 206.0
[M+K]+ 438.19536 195.9
[M+H-H2O]+ 382.22946 185.5
[M+HCOO]- 444.23040 212.3
[M+CH3COO]- 458.24605 204.5
[M+Na-2H]- 420.20687 197.0
[M]+ 399.23165 190.6
[M]- 399.23275 190.6
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.