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 168.3
[M+Na]+ 313.18865 170.3
[M-H]- 289.19215 173.5
[M+NH4]+ 308.23325 182.9
[M+K]+ 329.16259 173.7
[M+H-H2O]+ 273.19669 161.0
[M+HCOO]- 335.19763 191.7
[M+CH3COO]- 349.21328 212.3
[M+Na-2H]- 311.17410 170.0
[M]+ 290.19888 168.7
[M]- 290.19998 168.7
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.