CID 3061196

78808-05-6

Structural Information

Molecular Formula
C24H23ClN2O4
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2C(=O)C(CO3)CN4CCN(CC4)C5=CC=CC=C5Cl
InChI
InChI=1S/C24H23ClN2O4/c1-15-12-21(28)31-24-17(15)6-7-20-22(24)23(29)16(14-30-20)13-26-8-10-27(11-9-26)19-5-3-2-4-18(19)25/h2-7,12,16H,8-11,13-14H2,1H3
InChIKey
QTALGXZBSGBJOX-UHFFFAOYSA-N
Compound name
9-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-8,9-dihydropyrano[2,3-f]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.13464 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.14192 205.0
[M+Na]+ 461.12386 223.0
[M+NH4]+ 456.16846 212.9
[M+K]+ 477.09780 213.7
[M-H]- 437.12736 214.1
[M+Na-2H]- 459.10931 210.6
[M]+ 438.13409 210.7
[M]- 438.13519 210.7
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.