CID 204044

Acetamide, 2-(dibutylamino)-n-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-, monohydrochloride

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCCN(CCCC)CC(=O)NC1=CC=C(C(=O)C=C1)O
InChI
InChI=1S/C17H26N2O3/c1-3-5-11-19(12-6-4-2)13-17(22)18-14-7-9-15(20)16(21)10-8-14/h7-10H,3-6,11-13H2,1-2H3,(H,18,22)(H,20,21)
InChIKey
FOYNSCJJWJSORZ-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-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

306.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 171.9
[M+Na]+ 329.18356 178.4
[M+NH4]+ 324.22816 176.5
[M+K]+ 345.15750 174.7
[M-H]- 305.18706 172.6
[M+Na-2H]- 327.16901 175.0
[M]+ 306.19379 172.6
[M]- 306.19489 172.6
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.