CID 51057057

4-me-6-((5-(4-me-1-piperazinyl)-5-oxopentyl)oxy)-2h-chromen-2-one hydrochloride

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CC1=CC(=O)OC2=C1C=C(C=C2)OCCCCC(=O)N3CCN(CC3)C
InChI
InChI=1S/C20H26N2O4/c1-15-13-20(24)26-18-7-6-16(14-17(15)18)25-12-4-3-5-19(23)22-10-8-21(2)9-11-22/h6-7,13-14H,3-5,8-12H2,1-2H3
InChIKey
VUXYUIPXCFARAK-UHFFFAOYSA-N
Compound name
4-methyl-6-[5-(4-methylpiperazin-1-yl)-5-oxopentoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 187.4
[M+Na]+ 381.17849 193.3
[M-H]- 357.18199 191.9
[M+NH4]+ 376.22309 196.8
[M+K]+ 397.15243 190.3
[M+H-H2O]+ 341.18653 176.8
[M+HCOO]- 403.18747 201.5
[M+CH3COO]- 417.20312 216.0
[M+Na-2H]- 379.16394 188.9
[M]+ 358.18872 189.6
[M]- 358.18982 189.6
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.