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]+ 340.16558 180.8
[M+Na]+ 362.14752 185.6
[M-H]- 338.15102 188.7
[M+NH4]+ 357.19212 190.3
[M+K]+ 378.12146 183.0
[M+H-H2O]+ 322.15556 170.7
[M+HCOO]- 384.15650 195.1
[M+CH3COO]- 398.17215 189.8
[M+Na-2H]- 360.13297 181.8
[M]+ 339.15775 177.4
[M]- 339.15885 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.