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]+ 251.13902 153.6
[M+Na]+ 273.12096 157.5
[M-H]- 249.12446 158.5
[M+NH4]+ 268.16556 169.2
[M+K]+ 289.09490 161.9
[M+H-H2O]+ 233.12900 147.2
[M+HCOO]- 295.12994 177.1
[M+CH3COO]- 309.14559 201.7
[M+Na-2H]- 271.10641 156.3
[M]+ 250.13119 152.5
[M]- 250.13229 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.