CID 41348

55165-33-8

Structural Information

Molecular Formula
C26H29NO6
SMILES
CC1=CC2=C(O1)C(=C3C(=C(C=CO3)OCC(CN(CC4=CC=CC=C4)C(C)C)O)C2=O)OC
InChI
InChI=1S/C26H29NO6/c1-16(2)27(13-18-8-6-5-7-9-18)14-19(28)15-32-21-10-11-31-25-22(21)23(29)20-12-17(3)33-24(20)26(25)30-4/h5-12,16,19,28H,13-15H2,1-4H3
InChIKey
ANJNSOJMGIKACO-UHFFFAOYSA-N
Compound name
5-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]-9-methoxy-2-methylfuro[3,2-g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.20678 212.1
[M+Na]+ 474.18872 218.8
[M-H]- 450.19222 222.3
[M+NH4]+ 469.23332 221.5
[M+K]+ 490.16266 218.6
[M+H-H2O]+ 434.19676 203.2
[M+HCOO]- 496.19770 230.8
[M+CH3COO]- 510.21335 238.7
[M+Na-2H]- 472.17417 212.8
[M]+ 451.19895 223.1
[M]- 451.20005 223.1
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.