CID 205565

5-diethylaminoacetamidotropolone hydrochloride

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCN(CC)CC(=O)NC1=CC=C(C(=O)C=C1)O
InChI
InChI=1S/C13H18N2O3/c1-3-15(4-2)9-13(18)14-10-5-7-11(16)12(17)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKey
NYBMJGPTLQGSKJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 153.6
[M+Na]+ 273.120958 157.5
[M-H]- 249.124464 158.5
[M+NH4]+ 268.165563 169.2
[M+K]+ 289.094898 161.9
[M+H-H2O]+ 233.129000 147.2
[M+HCOO]- 295.129941 177.1
[M+CH3COO]- 309.145591 201.7
[M+Na-2H]- 271.106406 156.3
[M]+ 250.13119142 152.5
[M]- 250.13228858 152.5
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.