CID 3067676

Brn 4577665

Structural Information

Molecular Formula
C24H30N2O2
SMILES
C1CC2=CC=CC=C2OC1CN3CCN(CC3)CC4CCC5=CC=CC=C5O4
InChI
InChI=1S/C24H30N2O2/c1-3-7-23-19(5-1)9-11-21(27-23)17-25-13-15-26(16-14-25)18-22-12-10-20-6-2-4-8-24(20)28-22/h1-8,21-22H,9-18H2
InChIKey
GDLNOLCWUGOEQI-UHFFFAOYSA-N
Compound name
1,4-bis(3,4-dihydro-2H-chromen-2-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 193.5
[M+Na]+ 401.219958 195.2
[M-H]- 377.223464 200.1
[M+NH4]+ 396.264563 200.2
[M+K]+ 417.193898 191.1
[M+H-H2O]+ 361.228000 180.1
[M+HCOO]- 423.228941 200.5
[M+CH3COO]- 437.244591 199.6
[M+Na-2H]- 399.205406 195.4
[M]+ 378.23019142 186.1
[M]- 378.23128858 186.1
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.