CID 68014035

1254058-34-8

Structural Information

Molecular Formula
C17H28N4O
SMILES
CN1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)N)OC
InChI
InChI=1S/C17H28N4O/c1-19-9-11-20(12-10-19)15-5-7-21(8-6-15)16-4-3-14(18)13-17(16)22-2/h3-4,13,15H,5-12,18H2,1-2H3
InChIKey
JHPDGTZPYTWLTG-UHFFFAOYSA-N
Compound name
3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

304.22632 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.233596 178.5
[M+Na]+ 327.215538 181.8
[M-H]- 303.219044 182.1
[M+NH4]+ 322.260143 188.3
[M+K]+ 343.189478 177.1
[M+H-H2O]+ 287.223580 167.0
[M+HCOO]- 349.224521 191.0
[M+CH3COO]- 363.240171 186.0
[M+Na-2H]- 325.200986 177.8
[M]+ 304.22577142 170.2
[M]- 304.22686858 170.2
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

patents stripe