CID 5344547

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-LGMDPLHJSA-N
Compound name
(Z)-N-[4-(4-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 286.13725 166.0
[M+Na]+ 308.11919 172.7
[M-H]- 284.12269 174.0
[M+NH4]+ 303.16379 181.6
[M+K]+ 324.09313 167.5
[M+H-H2O]+ 268.12723 156.5
[M+HCOO]- 330.12817 182.9
[M+CH3COO]- 344.14382 177.0
[M+Na-2H]- 306.10464 166.2
[M]+ 285.12942 164.4
[M]- 285.13052 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.