CID 5344522

4-(4-methylphenyl)-n-[(3-methyl-2-thienyl)methylene]-1-piperazinamine

Structural Information

Molecular Formula
C17H21N3S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)/N=C\C3=C(C=CS3)C
InChI
InChI=1S/C17H21N3S/c1-14-3-5-16(6-4-14)19-8-10-20(11-9-19)18-13-17-15(2)7-12-21-17/h3-7,12-13H,8-11H2,1-2H3/b18-13-
InChIKey
CKZKKQJBIPNUKG-AQTBWJFISA-N
Compound name
(Z)-N-[4-(4-methylphenyl)piperazin-1-yl]-1-(3-methylthiophen-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.14563 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15291 170.7
[M+Na]+ 322.13485 177.8
[M-H]- 298.13835 178.9
[M+NH4]+ 317.17945 186.1
[M+K]+ 338.10879 172.4
[M+H-H2O]+ 282.14289 161.3
[M+HCOO]- 344.14383 187.3
[M+CH3COO]- 358.15948 181.6
[M+Na-2H]- 320.12030 169.7
[M]+ 299.14508 169.8
[M]- 299.14618 169.8
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.