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]+ 338.196206 181.1
[M+Na]+ 360.178148 185.1
[M-H]- 336.181654 184.2
[M+NH4]+ 355.222753 194.4
[M+K]+ 376.152088 184.5
[M+H-H2O]+ 320.186190 175.3
[M+HCOO]- 382.187131 193.5
[M+CH3COO]- 396.202781 212.4
[M+Na-2H]- 358.163596 181.6
[M]+ 337.18838142 182.6
[M]- 337.18947858 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.