CID 5395210

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-LGMDPLHJSA-N
Compound name
(Z)-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]+ 270.16008 163.3
[M+Na]+ 292.14202 169.1
[M-H]- 268.14552 171.6
[M+NH4]+ 287.18662 177.2
[M+K]+ 308.11596 166.1
[M+H-H2O]+ 252.15006 153.0
[M+HCOO]- 314.15100 184.2
[M+CH3COO]- 328.16665 174.5
[M+Na-2H]- 290.12747 166.9
[M]+ 269.15225 161.1
[M]- 269.15335 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.