CID 98551

78069-87-1

Structural Information

Molecular Formula
C17H22N4
SMILES
CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=NC=C3)N
InChI
InChI=1S/C17H22N4/c1-13-3-4-14(2)17(11-13)21-9-7-20(8-10-21)16-5-6-19-12-15(16)18/h3-6,11-12H,7-10,18H2,1-2H3
InChIKey
YJLBBOCNMHAPTM-UHFFFAOYSA-N
Compound name
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.18445 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 170.3
[M+Na]+ 305.17367 185.1
[M+NH4]+ 300.21827 178.2
[M+K]+ 321.14761 176.8
[M-H]- 281.17717 176.3
[M+Na-2H]- 303.15912 179.5
[M]+ 282.18390 174.1
[M]- 282.18500 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.