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]+ 380.042676 172.1
[M+Na]+ 402.024618 182.6
[M-H]- 378.028124 182.8
[M+NH4]+ 397.069223 188.3
[M+K]+ 417.998558 170.2
[M+H-H2O]+ 362.032660 170.0
[M+HCOO]- 424.033601 187.5
[M+CH3COO]- 438.049251 184.9
[M+Na-2H]- 400.010066 174.0
[M]+ 379.03485142 191.2
[M]- 379.03594858 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.