CID 201803

Phenol, 4-(4-piperonylpiperazin-1-ylcarbonyl)-

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C19H20N2O4/c22-16-4-2-15(3-5-16)19(23)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11,22H,7-10,12-13H2
InChIKey
PWGYQAKWWGZAIV-UHFFFAOYSA-N
Compound name
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.0
[M+Na]+ 363.13152 192.8
[M+NH4]+ 358.17612 186.8
[M+K]+ 379.10546 189.0
[M-H]- 339.13502 186.5
[M+Na-2H]- 361.11697 184.8
[M]+ 340.14175 183.5
[M]- 340.14285 183.5
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.