CID 97232

14549-72-5

Structural Information

Molecular Formula
C16H19BrN4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=NC=C3N)Br
InChI
InChI=1S/C16H19BrN4/c1-12-2-4-13(5-3-12)20-6-8-21(9-7-20)16-14(17)10-19-11-15(16)18/h2-5,10-11H,6-9,18H2,1H3
InChIKey
IBAXMBJWBAUBDE-UHFFFAOYSA-N
Compound name
5-bromo-4-[4-(4-methylphenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0793 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08658 174.5
[M+Na]+ 369.06852 183.9
[M-H]- 345.07202 181.7
[M+NH4]+ 364.11312 187.0
[M+K]+ 385.04246 170.4
[M+H-H2O]+ 329.07656 170.6
[M+HCOO]- 391.07750 189.4
[M+CH3COO]- 405.09315 185.6
[M+Na-2H]- 367.05397 178.5
[M]+ 346.07875 187.8
[M]- 346.07985 187.8
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.