CID 55152

2h-1-benzopyran-3-carboxamide, n,n-diethyl-

Structural Information

Molecular Formula
C14H17NO2
SMILES
CCN(CC)C(=O)C1=CC2=CC=CC=C2OC1
InChI
InChI=1S/C14H17NO2/c1-3-15(4-2)14(16)12-9-11-7-5-6-8-13(11)17-10-12/h5-9H,3-4,10H2,1-2H3
InChIKey
QBXPAPFWRWTDDL-UHFFFAOYSA-N
Compound name
N,N-diethyl-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 152.7
[M+Na]+ 254.11515 158.7
[M-H]- 230.11865 158.8
[M+NH4]+ 249.15975 170.7
[M+K]+ 270.08909 158.3
[M+H-H2O]+ 214.12319 145.6
[M+HCOO]- 276.12413 174.3
[M+CH3COO]- 290.13978 197.0
[M+Na-2H]- 252.10060 159.0
[M]+ 231.12538 154.7
[M]- 231.12648 154.7
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.