CID 44156930

Lyg-202

Structural Information

Molecular Formula
C25H30N2O5
SMILES
CN1CCN(CC1)CCCCOC2=C(C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=CC=C4)OC
InChI
InChI=1S/C25H30N2O5/c1-26-11-13-27(14-12-26)10-6-7-15-31-22-17-20(29)23-19(28)16-21(18-8-4-3-5-9-18)32-25(23)24(22)30-2/h3-5,8-9,16-17,29H,6-7,10-15H2,1-2H3
InChIKey
ICGYSEWPMDWBIL-UHFFFAOYSA-N
Compound name
5-hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

438.21548 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22276 209.5
[M+Na]+ 461.20470 215.2
[M-H]- 437.20820 215.9
[M+NH4]+ 456.24930 214.6
[M+K]+ 477.17864 210.9
[M+H-H2O]+ 421.21274 196.9
[M+HCOO]- 483.21368 222.2
[M+CH3COO]- 497.22933 229.8
[M+Na-2H]- 459.19015 209.9
[M]+ 438.21493 212.2
[M]- 438.21603 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe