CID 5727666

N-[(e)-furan-2-ylmethylidene]-4-(4-methylphenyl)piperazin-1-amine

Structural Information

Molecular Formula
C16H19N3O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)/N=C/C3=CC=CO3
InChI
InChI=1S/C16H19N3O/c1-14-4-6-15(7-5-14)18-8-10-19(11-9-18)17-13-16-3-2-12-20-16/h2-7,12-13H,8-11H2,1H3/b17-13+
InChIKey
ADTRSMXQXJQVGZ-GHRIWEEISA-N
Compound name
(E)-1-(furan-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 163.3
[M+Na]+ 292.142018 169.1
[M-H]- 268.145524 171.6
[M+NH4]+ 287.186623 177.2
[M+K]+ 308.115958 166.1
[M+H-H2O]+ 252.150060 153.0
[M+HCOO]- 314.151001 184.2
[M+CH3COO]- 328.166651 174.5
[M+Na-2H]- 290.127466 166.9
[M]+ 269.15225142 161.1
[M]- 269.15334858 161.1
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.