CID 204274

16019-80-0

Structural Information

Molecular Formula
C16H20N4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC=N3)N
InChI
InChI=1S/C16H20N4/c1-13-4-6-14(7-5-13)19-9-11-20(12-10-19)16-15(17)3-2-8-18-16/h2-8H,9-12,17H2,1H3
InChIKey
VXYMPTYZSWLWHF-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 165.5
[M+Na]+ 291.15802 180.2
[M+NH4]+ 286.20262 173.7
[M+K]+ 307.13196 172.0
[M-H]- 267.16152 171.5
[M+Na-2H]- 289.14347 175.3
[M]+ 268.16825 169.3
[M]- 268.16935 169.3
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.