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

33
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 154.2
[M+Na]+ 292.04198 163.9
[M-H]- 268.04548 159.9
[M+NH4]+ 287.08658 171.3
[M+K]+ 308.01592 151.8
[M+H-H2O]+ 252.05002 152.1
[M+HCOO]- 314.05096 170.8
[M+CH3COO]- 328.06661 196.5
[M+Na-2H]- 290.02743 159.1
[M]+ 269.05221 167.5
[M]- 269.05331 167.5
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