CID 3073428

2h-1-benzopyran-2-one, 7-methoxy-8-(3-(4-(phenylmethyl)-1-piperazinyl)propoxy)-, dihydrochloride

Structural Information

Molecular Formula
C24H28N2O4
SMILES
COC1=C(C2=C(C=C1)C=CC(=O)O2)OCCCN3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C24H28N2O4/c1-28-21-10-8-20-9-11-22(27)30-23(20)24(21)29-17-5-12-25-13-15-26(16-14-25)18-19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3
InChIKey
ZNMMIFQZGTZSGY-UHFFFAOYSA-N
Compound name
8-[3-(4-benzylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2049 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 201.0
[M+Na]+ 431.19412 216.6
[M+NH4]+ 426.23872 207.8
[M+K]+ 447.16806 207.6
[M-H]- 407.19762 207.9
[M+Na-2H]- 429.17957 208.5
[M]+ 408.20435 205.3
[M]- 408.20545 205.3
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.