CID 105583422

5-bromo-2-(2,4-dimethylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C12H18BrN3
SMILES
CC1CN(CCN1C2=C(C=C(C=C2)Br)N)C
InChI
InChI=1S/C12H18BrN3/c1-9-8-15(2)5-6-16(9)12-4-3-10(13)7-11(12)14/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKey
RLUYNBRUGSKKOC-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,4-dimethylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07570 158.8
[M+Na]+ 306.05764 169.0
[M-H]- 282.06114 164.7
[M+NH4]+ 301.10224 175.7
[M+K]+ 322.03158 156.6
[M+H-H2O]+ 266.06568 156.7
[M+HCOO]- 328.06662 175.0
[M+CH3COO]- 342.08227 200.4
[M+Na-2H]- 304.04309 162.5
[M]+ 283.06787 172.8
[M]- 283.06897 172.8
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.