CID 5347681

303095-50-3

Structural Information

Molecular Formula
C18H20BrN3O
SMILES
COC1=C(C=C(C=C1)/C=N/N2CCN(CC2)C3=CC=CC=C3)Br
InChI
InChI=1S/C18H20BrN3O/c1-23-18-8-7-15(13-17(18)19)14-20-22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/b20-14+
InChIKey
DXCBZBCVRRSISO-XSFVSMFZSA-N
Compound name
(E)-1-(3-bromo-4-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

373.07898 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08626 179.8
[M+Na]+ 396.06820 188.0
[M-H]- 372.07170 189.3
[M+NH4]+ 391.11280 193.1
[M+K]+ 412.04214 175.7
[M+H-H2O]+ 356.07624 175.6
[M+HCOO]- 418.07718 197.7
[M+CH3COO]- 432.09283 191.2
[M+Na-2H]- 394.05365 184.8
[M]+ 373.07843 196.0
[M]- 373.07953 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.