CID 45812

Diethylmethyl(4-methyl-2-oxo-2h-1-benzopyran-7-yl)ammonium iodide

Structural Information

Molecular Formula
C15H20NO2
SMILES
CC[N+](C)(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C15H20NO2/c1-5-16(4,6-2)12-7-8-13-11(3)9-15(17)18-14(13)10-12/h7-10H,5-6H2,1-4H3/q+1
InChIKey
ROGISHPERBWYPY-UHFFFAOYSA-N
Compound name
diethyl-methyl-(4-methyl-2-oxochromen-7-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1494 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15668 153.0
[M+Na]+ 269.13862 169.7
[M+NH4]+ 264.18322 163.2
[M+K]+ 285.11256 163.0
[M-H]- 245.14212 159.8
[M+Na-2H]- 267.12407 161.2
[M]+ 246.14885 158.0
[M]- 246.14995 158.0
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.