CID 5347698

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

Structural Information

Molecular Formula
C16H17BrClN3S
SMILES
C1CN(CCN1CC2=CC=C(C=C2)Cl)/N=C/C3=CC=C(S3)Br
InChI
InChI=1S/C16H17BrClN3S/c17-16-6-5-15(22-16)11-19-21-9-7-20(8-10-21)12-13-1-3-14(18)4-2-13/h1-6,11H,7-10,12H2/b19-11+
InChIKey
VODDMAZZKKYCHC-YBFXNURJSA-N
Compound name
(E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0015 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.00878 175.6
[M+Na]+ 419.99072 187.2
[M-H]- 395.99422 186.2
[M+NH4]+ 415.03532 192.1
[M+K]+ 435.96466 172.8
[M+H-H2O]+ 379.99876 173.9
[M+HCOO]- 441.99970 186.3
[M+CH3COO]- 456.01535 188.2
[M+Na-2H]- 417.97617 176.9
[M]+ 397.00095 195.2
[M]- 397.00205 195.2
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.