CID 41352

55165-35-0

Structural Information

Molecular Formula
C19H23NO6
SMILES
CC1=CC2=C(C3=C(C(=C2O1)OCC(CNCC(C)C)O)OC=CC3=O)O
InChI
InChI=1S/C19H23NO6/c1-10(2)7-20-8-12(21)9-25-19-17-13(6-11(3)26-17)16(23)15-14(22)4-5-24-18(15)19/h4-6,10,12,20-21,23H,7-9H2,1-3H3
InChIKey
BUXYNGZEKOUGEH-UHFFFAOYSA-N
Compound name
4-hydroxy-9-[2-hydroxy-3-(2-methylpropylamino)propoxy]-2-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15253 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15981 185.1
[M+Na]+ 384.14175 193.4
[M-H]- 360.14525 190.1
[M+NH4]+ 379.18635 197.8
[M+K]+ 400.11569 192.4
[M+H-H2O]+ 344.14979 178.7
[M+HCOO]- 406.15073 203.1
[M+CH3COO]- 420.16638 217.0
[M+Na-2H]- 382.12720 187.9
[M]+ 361.15198 193.7
[M]- 361.15308 193.7
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.