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 171.3
[M+Na]+ 329.18356 173.5
[M-H]- 305.18706 175.4
[M+NH4]+ 324.22816 184.7
[M+K]+ 345.15750 177.1
[M+H-H2O]+ 289.19160 164.1
[M+HCOO]- 351.19254 193.4
[M+CH3COO]- 365.20819 213.0
[M+Na-2H]- 327.16901 171.9
[M]+ 306.19379 171.6
[M]- 306.19489 171.6
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.