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

25
Patents

269.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.060036 154.2
[M+Na]+ 292.041978 163.9
[M-H]- 268.045484 159.9
[M+NH4]+ 287.086583 171.3
[M+K]+ 308.015918 151.8
[M+H-H2O]+ 252.050020 152.1
[M+HCOO]- 314.050961 170.8
[M+CH3COO]- 328.066611 196.5
[M+Na-2H]- 290.027426 159.1
[M]+ 269.05221142 167.5
[M]- 269.05330858 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