CID 5362193

6,7-dihydroxy-4-methyl-8-(piperidinomethyl)coumarin hydrochloride

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC1=CC(=O)OC2=C(C(=C(C=C12)O)O)CN3CCCCC3
InChI
InChI=1S/C16H19NO4/c1-10-7-14(19)21-16-11(10)8-13(18)15(20)12(16)9-17-5-3-2-4-6-17/h7-8,18,20H,2-6,9H2,1H3
InChIKey
UBLFYCLSVUUOFW-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 166.0
[M+Na]+ 312.120618 173.9
[M-H]- 288.124124 170.5
[M+NH4]+ 307.165223 178.9
[M+K]+ 328.094558 170.5
[M+H-H2O]+ 272.128660 158.0
[M+HCOO]- 334.129601 180.8
[M+CH3COO]- 348.145251 198.5
[M+Na-2H]- 310.106066 169.5
[M]+ 289.13085142 164.8
[M]- 289.13194858 164.8
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.