CID 3073400

N,n-dipropyl-1-oxo-1h-2-benzopyran-4-carboxamide

Structural Information

Molecular Formula
C16H19NO3
SMILES
CCCN(CCC)C(=O)C1=COC(=O)C2=CC=CC=C21
InChI
InChI=1S/C16H19NO3/c1-3-9-17(10-4-2)15(18)14-11-20-16(19)13-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
POAOUYUGEZTXLL-UHFFFAOYSA-N
Compound name
1-oxo-N,N-dipropylisochromene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.1
[M+Na]+ 296.12572 170.3
[M-H]- 272.12922 169.5
[M+NH4]+ 291.17032 179.6
[M+K]+ 312.09966 169.2
[M+H-H2O]+ 256.13376 155.5
[M+HCOO]- 318.13470 185.8
[M+CH3COO]- 332.15035 205.3
[M+Na-2H]- 294.11117 168.5
[M]+ 273.13595 168.3
[M]- 273.13705 168.3
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.