CID 87489075

Schembl3175714

Structural Information

Molecular Formula
C17H24NO3
SMILES
CC[N+](C)(CC)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C
InChI
InChI=1S/C17H23NO3/c1-5-18(4,6-2)10-9-15-12(3)14-8-7-13(19)11-16(14)21-17(15)20/h7-8,11H,5-6,9-10H2,1-4H3/p+1
InChIKey
JGXGFWUTRXWEJX-UHFFFAOYSA-O
Compound name
diethyl-[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

290.17563 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18291 167.3
[M+Na]+ 313.16485 175.8
[M-H]- 289.16835 173.2
[M+NH4]+ 308.20945 183.2
[M+K]+ 329.13879 168.0
[M+H-H2O]+ 273.17289 163.5
[M+HCOO]- 335.17383 187.8
[M+CH3COO]- 349.18948 201.3
[M+Na-2H]- 311.15030 176.2
[M]+ 290.17508 171.6
[M]- 290.17618 171.6
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.