CID 5727642

4-(4-methylphenyl)-n-(2-thienylmethylene)-1-piperazinamine

Structural Information

Molecular Formula
C16H19N3S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)/N=C/C3=CC=CS3
InChI
InChI=1S/C16H19N3S/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
ZDMNQXLQXUYJDX-GHRIWEEISA-N
Compound name
(E)-N-[4-(4-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

285.12997 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.137246 166.0
[M+Na]+ 308.119188 172.7
[M-H]- 284.122694 174.0
[M+NH4]+ 303.163793 181.6
[M+K]+ 324.093128 167.5
[M+H-H2O]+ 268.127230 156.5
[M+HCOO]- 330.128171 182.9
[M+CH3COO]- 344.143821 177.0
[M+Na-2H]- 306.104636 166.2
[M]+ 285.12942142 164.4
[M]- 285.13051858 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.