CID 203482

14549-68-9

Structural Information

Molecular Formula
C17H22N4O2
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=C(C=NC=C3)N)OC
InChI
InChI=1S/C17H22N4O2/c1-22-16-4-3-13(11-17(16)23-2)20-7-9-21(10-8-20)15-5-6-19-12-14(15)18/h3-6,11-12H,7-10,18H2,1-2H3
InChIKey
RGTATZHNAGDZSW-UHFFFAOYSA-N
Compound name
4-[4-(3,4-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]+ 315.181576 177.1
[M+Na]+ 337.163518 183.2
[M-H]- 313.167024 181.8
[M+NH4]+ 332.208123 186.6
[M+K]+ 353.137458 178.4
[M+H-H2O]+ 297.171560 165.4
[M+HCOO]- 359.172501 194.0
[M+CH3COO]- 373.188151 186.1
[M+Na-2H]- 335.148966 179.6
[M]+ 314.17375142 174.4
[M]- 314.17484858 174.4
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.