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 207.4
[M+Na]+ 460.23058 210.1
[M-H]- 436.23408 213.5
[M+NH4]+ 455.27518 218.3
[M+K]+ 476.20452 211.8
[M+H-H2O]+ 420.23862 200.5
[M+HCOO]- 482.23956 220.6
[M+CH3COO]- 496.25521 238.9
[M+Na-2H]- 458.21603 204.5
[M]+ 437.24081 215.6
[M]- 437.24191 215.6
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.