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]+ 307.18050 174.1
[M+Na]+ 329.16244 178.6
[M-H]- 305.16594 180.8
[M+NH4]+ 324.20704 184.7
[M+K]+ 345.13638 173.6
[M+H-H2O]+ 289.17048 162.3
[M+HCOO]- 351.17142 188.1
[M+CH3COO]- 365.18707 183.0
[M+Na-2H]- 327.14789 179.1
[M]+ 306.17267 168.9
[M]- 306.17377 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.