CID 5347770

303102-33-2

Structural Information

Molecular Formula
C22H22FN3
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)/N=C/C4=CC(=CC=C4)F
InChI
InChI=1S/C22H22FN3/c23-21-9-3-5-18(15-21)16-24-26-13-11-25(12-14-26)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/b24-16+
InChIKey
YRWYPYMTJDCMDF-LFVJCYFKSA-N
Compound name
(E)-1-(3-fluorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.17978 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18706 184.8
[M+Na]+ 370.16900 190.2
[M-H]- 346.17250 191.0
[M+NH4]+ 365.21360 195.6
[M+K]+ 386.14294 182.6
[M+H-H2O]+ 330.17704 171.3
[M+HCOO]- 392.17798 201.8
[M+CH3COO]- 406.19363 193.2
[M+Na-2H]- 368.15445 188.9
[M]+ 347.17923 179.5
[M]- 347.18033 179.5
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.