CID 41367

55218-91-2

Structural Information

Molecular Formula
C19H23NO6
SMILES
CC1=CC2=C(O1)C(=C3C(=C(C=CO3)OC)C2=O)OCC(CNC(C)C)O
InChI
InChI=1S/C19H23NO6/c1-10(2)20-8-12(21)9-25-19-17-13(7-11(3)26-17)16(22)15-14(23-4)5-6-24-18(15)19/h5-7,10,12,20-21H,8-9H2,1-4H3
InChIKey
UYLVZGHZLUCXJE-UHFFFAOYSA-N
Compound name
9-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-methoxy-2-methylfuro[3,2-g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15253 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15981 184.9
[M+Na]+ 384.14175 193.7
[M-H]- 360.14525 191.3
[M+NH4]+ 379.18635 198.3
[M+K]+ 400.11569 193.5
[M+H-H2O]+ 344.14979 178.3
[M+HCOO]- 406.15073 204.5
[M+CH3COO]- 420.16638 219.1
[M+Na-2H]- 382.12720 188.2
[M]+ 361.15198 195.3
[M]- 361.15308 195.3
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.