CID 3068800

Piperazine, 1,4-bis(2h-1-benzopyran-3-ylmethyl)-, monohydrochloride

Structural Information

Molecular Formula
C24H26N2O2
SMILES
C1CN(CCN1CC2=CC3=CC=CC=C3OC2)CC4=CC5=CC=CC=C5OC4
InChI
InChI=1S/C24H26N2O2/c1-3-7-23-21(5-1)13-19(17-27-23)15-25-9-11-26(12-10-25)16-20-14-22-6-2-4-8-24(22)28-18-20/h1-8,13-14H,9-12,15-18H2
InChIKey
SOEYHDCWBROBOR-UHFFFAOYSA-N
Compound name
1,4-bis(2H-chromen-3-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 191.9
[M+Na]+ 397.18865 195.7
[M-H]- 373.19215 199.4
[M+NH4]+ 392.23325 198.9
[M+K]+ 413.16259 191.2
[M+H-H2O]+ 357.19669 178.6
[M+HCOO]- 419.19763 201.7
[M+CH3COO]- 433.21328 199.0
[M+Na-2H]- 395.17410 195.8
[M]+ 374.19888 187.3
[M]- 374.19998 187.3
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.