CID 4961872

5-bromo-2-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C11H16BrN3
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)Br)N
InChI
InChI=1S/C11H16BrN3/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKey
QRSKVMNMLVQJPL-UHFFFAOYSA-N
Compound name
5-bromo-2-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

269.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06004 154.7
[M+Na]+ 292.04198 157.9
[M+NH4]+ 287.08658 159.5
[M+K]+ 308.01592 157.3
[M-H]- 268.04548 156.9
[M+Na-2H]- 290.02743 158.4
[M]+ 269.05221 154.5
[M]- 269.05331 154.5
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

patents stripe