CID 3068798

Brn 4542632

Structural Information

Molecular Formula
C20H22N2O
SMILES
C1CN(CCN1CC2=CC3=CC=CC=C3OC2)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O/c1-2-7-19(8-3-1)22-12-10-21(11-13-22)15-17-14-18-6-4-5-9-20(18)23-16-17/h1-9,14H,10-13,15-16H2
InChIKey
LWWSMZHQBCSYKW-UHFFFAOYSA-N
Compound name
1-(2H-chromen-3-ylmethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.180496 174.1
[M+Na]+ 329.162438 178.6
[M-H]- 305.165944 180.8
[M+NH4]+ 324.207043 184.7
[M+K]+ 345.136378 173.6
[M+H-H2O]+ 289.170480 162.3
[M+HCOO]- 351.171421 188.1
[M+CH3COO]- 365.187071 183.0
[M+Na-2H]- 327.147886 179.1
[M]+ 306.17267142 168.9
[M]- 306.17376858 168.9
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.