CID 5347882

303102-28-5

Structural Information

Molecular Formula
C17H20BrN3S
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC=C(S3)Br
InChI
InChI=1S/C17H20BrN3S/c1-14-2-4-15(5-3-14)13-20-8-10-21(11-9-20)19-12-16-6-7-17(18)22-16/h2-7,12H,8-11,13H2,1H3/b19-12+
InChIKey
XOMLMJAWGVMUAW-XDHOZWIPSA-N
Compound name
(E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.05612 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06340 172.9
[M+Na]+ 400.04534 176.3
[M+NH4]+ 395.08994 178.1
[M+K]+ 416.01928 174.0
[M-H]- 376.04884 177.1
[M+Na-2H]- 398.03079 177.9
[M]+ 377.05557 173.8
[M]- 377.05667 173.8
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.