CID 455912

Pyranocoumarin acnh deriv.

Structural Information

Molecular Formula
C16H17NO5
SMILES
CC(=O)NC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
InChI
InChI=1S/C16H17NO5/c1-8(18)17-13-12-10(22-16(2,3)15(13)20)6-4-9-5-7-11(19)21-14(9)12/h4-7,13,15,20H,1-3H3,(H,17,18)
InChIKey
XVDMXIZWOVITRK-UHFFFAOYSA-N
Compound name
N-(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.1107 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 166.6
[M+Na]+ 326.09992 176.2
[M-H]- 302.10342 172.8
[M+NH4]+ 321.14452 182.6
[M+K]+ 342.07386 175.5
[M+H-H2O]+ 286.10796 160.0
[M+HCOO]- 348.10890 183.3
[M+CH3COO]- 362.12455 206.6
[M+Na-2H]- 324.08537 173.7
[M]+ 303.11015 170.0
[M]- 303.11125 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.