CID 5347737

303102-37-6

Structural Information

Molecular Formula
C20H20BrN3S
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)/N=C/C4=CC=C(S4)Br
InChI
InChI=1S/C20H20BrN3S/c21-20-9-8-18(25-20)14-22-24-12-10-23(11-13-24)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2/b22-14+
InChIKey
LIIPHMKRKKTGAN-HYARGMPZSA-N
Compound name
(E)-1-(5-bromothiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.05612 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06340 182.1
[M+Na]+ 436.04534 193.3
[M-H]- 412.04884 193.5
[M+NH4]+ 431.08994 197.9
[M+K]+ 452.01928 179.5
[M+H-H2O]+ 396.05338 180.0
[M+HCOO]- 458.05432 197.2
[M+CH3COO]- 472.06997 194.4
[M+Na-2H]- 434.03079 185.6
[M]+ 413.05557 201.3
[M]- 413.05667 201.3
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.