CID 14477738

4-(4-(4-amino-3-methoxyphenyl)piperazin-1-yl)-2-methoxyaniline

Structural Information

Molecular Formula
C18H24N4O2
SMILES
COC1=C(C=CC(=C1)N2CCN(CC2)C3=CC(=C(C=C3)N)OC)N
InChI
InChI=1S/C18H24N4O2/c1-23-17-11-13(3-5-15(17)19)21-7-9-22(10-8-21)14-4-6-16(20)18(12-14)24-2/h3-6,11-12H,7-10,19-20H2,1-2H3
InChIKey
MSDMHPFTUJFFNZ-UHFFFAOYSA-N
Compound name
4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

328.1899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19718 180.8
[M+Na]+ 351.17912 186.6
[M-H]- 327.18262 186.8
[M+NH4]+ 346.22372 190.9
[M+K]+ 367.15306 181.8
[M+H-H2O]+ 311.18716 169.9
[M+HCOO]- 373.18810 199.3
[M+CH3COO]- 387.20375 215.4
[M+Na-2H]- 349.16457 181.6
[M]+ 328.18935 176.9
[M]- 328.19045 176.9
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

patents stripe