CID 3067674

Brn 4534912

Structural Information

Molecular Formula
C20H24N2O
SMILES
C1CC2=CC=CC=C2OC1CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H24N2O/c1-2-7-18(8-3-1)22-14-12-21(13-15-22)16-19-11-10-17-6-4-5-9-20(17)23-19/h1-9,19H,10-16H2
InChIKey
QXJCSEZMXAEERR-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 175.2
[M+Na]+ 331.178088 178.6
[M-H]- 307.181594 181.5
[M+NH4]+ 326.222693 185.6
[M+K]+ 347.152028 173.9
[M+H-H2O]+ 291.186130 163.3
[M+HCOO]- 353.187071 187.8
[M+CH3COO]- 367.202721 183.5
[M+Na-2H]- 329.163536 179.2
[M]+ 308.18832142 168.6
[M]- 308.18941858 168.6
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

No patent data available for this compound.