CID 3073401

1h-2-benzopyran-4-carboxamide, n,n-bis(1-methylethyl)-1-oxo-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.8
[M+Na]+ 296.12572 169.5
[M-H]- 272.12922 169.4
[M+NH4]+ 291.17032 179.2
[M+K]+ 312.09966 169.5
[M+H-H2O]+ 256.13376 155.7
[M+HCOO]- 318.13470 183.5
[M+CH3COO]- 332.15035 207.2
[M+Na-2H]- 294.11117 166.0
[M]+ 273.13595 166.9
[M]- 273.13705 166.9
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.