CID 37843

37855-77-9

Structural Information

Molecular Formula
C25H27NO6
SMILES
CC1=CC2=C(C3=C(C(=C2O1)OCC(CN(CC4=CC=CC=C4)C(C)C)O)OC=CC3=O)O
InChI
InChI=1S/C25H27NO6/c1-15(2)26(12-17-7-5-4-6-8-17)13-18(27)14-31-25-23-19(11-16(3)32-23)22(29)21-20(28)9-10-30-24(21)25/h4-11,15,18,27,29H,12-14H2,1-3H3
InChIKey
ZCIIIVKAHILJIV-UHFFFAOYSA-N
Compound name
9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.18384 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19112 207.0
[M+Na]+ 460.17306 213.8
[M-H]- 436.17656 216.2
[M+NH4]+ 455.21766 216.4
[M+K]+ 476.14700 213.1
[M+H-H2O]+ 420.18110 198.7
[M+HCOO]- 482.18204 224.7
[M+CH3COO]- 496.19769 233.8
[M+Na-2H]- 458.15851 208.0
[M]+ 437.18329 216.1
[M]- 437.18439 216.1
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.