CID 45700

63956-97-8

Structural Information

Molecular Formula
C18H27NO5
SMILES
CC1CC2=C(O1)C(=C3C(=C(CCO3)O)C2)OCC(CNC(C)C)O
InChI
InChI=1S/C18H27NO5/c1-10(2)19-8-13(20)9-23-18-16-12(6-11(3)24-16)7-14-15(21)4-5-22-17(14)18/h10-11,13,19-21H,4-9H2,1-3H3
InChIKey
YVBVYRDDFJTANW-UHFFFAOYSA-N
Compound name
9-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-methyl-3,4,6,7-tetrahydro-2H-furo[3,2-g]chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 181.1
[M+Na]+ 360.17815 185.1
[M-H]- 336.18165 184.2
[M+NH4]+ 355.22275 194.4
[M+K]+ 376.15209 184.5
[M+H-H2O]+ 320.18619 175.3
[M+HCOO]- 382.18713 193.5
[M+CH3COO]- 396.20278 212.4
[M+Na-2H]- 358.16360 181.6
[M]+ 337.18838 182.6
[M]- 337.18948 182.6
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.