CID 203936

2-diethylaminoacetamidotropone hydrochloride

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCN(CC)CC(=O)NC1=CC=CC=CC1=O
InChI
InChI=1S/C13H18N2O2/c1-3-15(4-2)10-13(17)14-11-8-6-5-7-9-12(11)16/h5-9H,3-4,10H2,1-2H3,(H,14,16,17)
InChIKey
IYUULJVCBQLHKO-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 150.5
[M+Na]+ 257.126048 154.1
[M-H]- 233.129554 156.4
[M+NH4]+ 252.170653 167.2
[M+K]+ 273.099988 158.4
[M+H-H2O]+ 217.134090 144.0
[M+HCOO]- 279.135031 175.2
[M+CH3COO]- 293.150681 201.0
[M+Na-2H]- 255.111496 154.3
[M]+ 234.13628142 149.6
[M]- 234.13737858 149.6
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.