CID 150434

((9-methoxy-7-oxo-7h-furo(3,2-g)(1)benzopyran-4-yl)methyl)trimethylammonium chloride

Structural Information

Molecular Formula
C16H18NO4
SMILES
C[N+](C)(C)CC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC
InChI
InChI=1S/C16H18NO4/c1-17(2,3)9-12-10-5-6-13(18)21-15(10)16(19-4)14-11(12)7-8-20-14/h5-8H,9H2,1-4H3/q+1
InChIKey
ZGVAFIYHMHPVQX-UHFFFAOYSA-N
Compound name
(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1236 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13088 163.0
[M+Na]+ 311.11282 174.5
[M-H]- 287.11632 172.8
[M+NH4]+ 306.15742 181.1
[M+K]+ 327.08676 168.6
[M+H-H2O]+ 271.12086 160.0
[M+HCOO]- 333.12180 186.4
[M+CH3COO]- 347.13745 200.6
[M+Na-2H]- 309.09827 175.2
[M]+ 288.12305 171.7
[M]- 288.12415 171.7
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.