CID 203481

14549-67-8

Structural Information

Molecular Formula
C17H22N4O2
SMILES
COC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=NC=C3)N)OC
InChI
InChI=1S/C17H22N4O2/c1-22-13-3-4-16(17(11-13)23-2)21-9-7-20(8-10-21)15-5-6-19-12-14(15)18/h3-6,11-12H,7-10,18H2,1-2H3
InChIKey
ZCKHWXUJLFQLPY-UHFFFAOYSA-N
Compound name
4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.5
[M+Na]+ 337.16352 190.3
[M+NH4]+ 332.20812 183.3
[M+K]+ 353.13746 183.2
[M-H]- 313.16702 181.5
[M+Na-2H]- 335.14897 184.8
[M]+ 314.17375 179.8
[M]- 314.17485 179.8
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.