CID 5347702

N-[(5-bromo-2-thienyl)methylene]-4-phenyl-1-piperazinamine

Structural Information

Molecular Formula
C15H16BrN3S
SMILES
C1CN(CCN1C2=CC=CC=C2)/N=C/C3=CC=C(S3)Br
InChI
InChI=1S/C15H16BrN3S/c16-15-7-6-14(20-15)12-17-19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b17-12+
InChIKey
JVYSQNTYDVXITI-SFQUDFHCSA-N
Compound name
(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

349.02484 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03212 164.7
[M+Na]+ 372.01406 175.1
[M-H]- 348.01756 175.3
[M+NH4]+ 367.05866 181.9
[M+K]+ 387.98800 162.5
[M+H-H2O]+ 332.02210 162.8
[M+HCOO]- 394.02304 180.3
[M+CH3COO]- 408.03869 177.9
[M+Na-2H]- 369.99951 167.6
[M]+ 349.02429 181.8
[M]- 349.02539 181.8
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.