CID 5515015

315182-78-6

Structural Information

Molecular Formula
C21H25BrN4O2
SMILES
COC1=C(C=C(C=C1)Br)/C=N\NC(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H25BrN4O2/c1-28-20-8-7-19(22)13-18(20)14-23-24-21(27)16-26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15-16H2,1H3,(H,24,27)/b23-14-
InChIKey
MXNKLMLCCQMSHE-UCQKPKSFSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

444.1161 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.12338 197.7
[M+Na]+ 467.10532 200.1
[M+NH4]+ 462.14992 200.3
[M+K]+ 483.07926 198.3
[M-H]- 443.10882 201.3
[M+Na-2H]- 465.09077 201.9
[M]+ 444.11555 197.7
[M]- 444.11665 197.7
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.