CID 198850

Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C19H20N2O4/c22-16-4-2-1-3-15(16)19(23)21-9-7-20(8-10-21)12-14-5-6-17-18(11-14)25-13-24-17/h1-6,11,22H,7-10,12-13H2
InChIKey
BKPKQZHBHBEXRR-UHFFFAOYSA-N
Compound name
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.149576 179.3
[M+Na]+ 363.131518 184.4
[M-H]- 339.135024 186.5
[M+NH4]+ 358.176123 188.6
[M+K]+ 379.105458 182.1
[M+H-H2O]+ 323.139560 169.7
[M+HCOO]- 385.140501 191.9
[M+CH3COO]- 399.156151 188.4
[M+Na-2H]- 361.116966 180.5
[M]+ 340.14175142 177.1
[M]- 340.14284858 177.1
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.