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]+ 307.201616 171.3
[M+Na]+ 329.183558 173.5
[M-H]- 305.187064 175.4
[M+NH4]+ 324.228163 184.7
[M+K]+ 345.157498 177.1
[M+H-H2O]+ 289.191600 164.1
[M+HCOO]- 351.192541 193.4
[M+CH3COO]- 365.208191 213.0
[M+Na-2H]- 327.169006 171.9
[M]+ 306.19379142 171.6
[M]- 306.19488858 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.