CID 51333

71510-44-6

Structural Information

Molecular Formula
C23H35NO7
SMILES
CCC(C(=O)OCCN(CC)CC)OC1C2C=COC2C(C3C1C(=O)C=C(O3)C)OC
InChI
InChI=1S/C23H35NO7/c1-6-17(23(26)29-12-10-24(7-2)8-3)31-19-15-9-11-28-20(15)22(27-5)21-18(19)16(25)13-14(4)30-21/h9,11,13,15,17-22H,6-8,10,12H2,1-5H3
InChIKey
UFFJZSWLVGTUPK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.24136 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.24864 204.8
[M+Na]+ 460.23058 211.3
[M+NH4]+ 455.27518 209.2
[M+K]+ 476.20452 210.0
[M-H]- 436.23408 207.2
[M+Na-2H]- 458.21603 201.3
[M]+ 437.24081 205.9
[M]- 437.24191 205.9
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.