CID 28922

N,n-diethyl-3-coumarincarboxamide

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCN(CC)C(=O)C1=CC2=CC=CC=C2OC1=O
InChI
InChI=1S/C14H15NO3/c1-3-15(4-2)13(16)11-9-10-7-5-6-8-12(10)18-14(11)17/h5-9H,3-4H2,1-2H3
InChIKey
DIHKPWRAFNUESX-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.4
[M+Na]+ 268.09442 161.5
[M-H]- 244.09792 160.2
[M+NH4]+ 263.13902 171.0
[M+K]+ 284.06836 160.9
[M+H-H2O]+ 228.10246 146.3
[M+HCOO]- 290.10340 176.8
[M+CH3COO]- 304.11905 199.3
[M+Na-2H]- 266.07987 160.0
[M]+ 245.10465 157.9
[M]- 245.10575 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe