CID 97737

1044-59-3

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C19H22N2O2/c1-2-6-16(7-3-1)21-12-10-20(11-13-21)14-17-15-22-18-8-4-5-9-19(18)23-17/h1-9,17H,10-15H2
InChIKey
IQNPJIIGYJNFJB-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 174.6
[M+Na]+ 333.15734 178.5
[M-H]- 309.16084 181.7
[M+NH4]+ 328.20194 183.5
[M+K]+ 349.13128 175.7
[M+H-H2O]+ 293.16538 162.8
[M+HCOO]- 355.16632 186.7
[M+CH3COO]- 369.18197 183.2
[M+Na-2H]- 331.14279 179.5
[M]+ 310.16757 169.6
[M]- 310.16867 169.6
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

patents stripe