CID 201197

4-(4-piperonylpiperazin-1-ylcarbonyl)aniline

Structural Information

Molecular Formula
C19H21N3O3
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C19H21N3O3/c20-16-4-2-15(3-5-16)19(23)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13,20H2
InChIKey
WUZKUFVUPDLNHA-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.165576 180.8
[M+Na]+ 362.147518 185.6
[M-H]- 338.151024 188.7
[M+NH4]+ 357.192123 190.3
[M+K]+ 378.121458 183.0
[M+H-H2O]+ 322.155560 170.7
[M+HCOO]- 384.156501 195.1
[M+CH3COO]- 398.172151 189.8
[M+Na-2H]- 360.132966 181.8
[M]+ 339.15775142 177.4
[M]- 339.15884858 177.4
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.