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]+ 290.13868 166.1
[M+Na]+ 312.12062 179.9
[M+NH4]+ 307.16522 173.3
[M+K]+ 328.09456 173.9
[M-H]- 288.12412 170.3
[M+Na-2H]- 310.10607 170.8
[M]+ 289.13085 169.2
[M]- 289.13195 169.2
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.