CID 5347957

N-((5-bromo-2-thienyl)methylene)-4-(2-methoxyphenyl)-1-piperazinamine

Structural Information

Molecular Formula
C16H18BrN3OS
SMILES
COC1=CC=CC=C1N2CCN(CC2)/N=C/C3=CC=C(S3)Br
InChI
InChI=1S/C16H18BrN3OS/c1-21-15-5-3-2-4-14(15)19-8-10-20(11-9-19)18-12-13-6-7-16(17)22-13/h2-7,12H,8-11H2,1H3/b18-12+
InChIKey
UJVKQXVGQHDQSY-LDADJPATSA-N
Compound name
(E)-1-(5-bromothiophen-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0354 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.04268 172.1
[M+Na]+ 402.02462 182.6
[M-H]- 378.02812 182.8
[M+NH4]+ 397.06922 188.3
[M+K]+ 417.99856 170.2
[M+H-H2O]+ 362.03266 170.0
[M+HCOO]- 424.03360 187.5
[M+CH3COO]- 438.04925 184.9
[M+Na-2H]- 400.01007 174.0
[M]+ 379.03485 191.2
[M]- 379.03595 191.2
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.