CID 5347896

N-(3-fluorobenzylidene)-4-(4-methylbenzyl)-1-piperazinamine

Structural Information

Molecular Formula
C19H22FN3
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC(=CC=C3)F
InChI
InChI=1S/C19H22FN3/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)21-14-18-3-2-4-19(20)13-18/h2-8,13-14H,9-12,15H2,1H3/b21-14+
InChIKey
UTWXFZUOVKTKEC-KGENOOAVSA-N
Compound name
(E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17978 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18706 176.1
[M+Na]+ 334.16900 181.5
[M-H]- 310.17250 181.9
[M+NH4]+ 329.21360 187.8
[M+K]+ 350.14294 175.4
[M+H-H2O]+ 294.17704 163.6
[M+HCOO]- 356.17798 194.6
[M+CH3COO]- 370.19363 185.4
[M+Na-2H]- 332.15445 178.9
[M]+ 311.17923 171.2
[M]- 311.18033 171.2
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.