CID 203942

Acetamide, 2-(dibutylamino)-n-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCN(CCCC)CC(=O)NC1=CC=CC=CC1=O
InChI
InChI=1S/C17H26N2O2/c1-3-5-12-19(13-6-4-2)14-17(21)18-15-10-8-7-9-11-16(15)20/h7-11H,3-6,12-14H2,1-2H3,(H,18,20,21)
InChIKey
CGLHSTTXNSTBDM-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 169.2
[M+Na]+ 313.18865 176.3
[M+NH4]+ 308.23325 174.6
[M+K]+ 329.16259 171.6
[M-H]- 289.19215 170.9
[M+Na-2H]- 311.17410 173.5
[M]+ 290.19888 170.4
[M]- 290.19998 170.4
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.