CID 54782

Brn 4597119

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CCOC(=O)C1=CC2=C(C=C1)OCCC2N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C23H28N2O4/c1-3-28-23(26)17-8-9-21-18(16-17)19(10-15-29-21)24-11-13-25(14-12-24)20-6-4-5-7-22(20)27-2/h4-9,16,19H,3,10-15H2,1-2H3
InChIKey
FCVCXVOBITXSOQ-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.212176 197.9
[M+Na]+ 419.194118 201.2
[M-H]- 395.197624 204.5
[M+NH4]+ 414.238723 204.7
[M+K]+ 435.168058 198.0
[M+H-H2O]+ 379.202160 185.5
[M+HCOO]- 441.203101 208.9
[M+CH3COO]- 455.218751 204.9
[M+Na-2H]- 417.179566 198.0
[M]+ 396.20435142 195.9
[M]- 396.20544858 195.9
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.