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]+ 235.14411 150.5
[M+Na]+ 257.12605 154.1
[M-H]- 233.12955 156.4
[M+NH4]+ 252.17065 167.2
[M+K]+ 273.09999 158.4
[M+H-H2O]+ 217.13409 144.0
[M+HCOO]- 279.13503 175.2
[M+CH3COO]- 293.15068 201.0
[M+Na-2H]- 255.11150 154.3
[M]+ 234.13628 149.6
[M]- 234.13738 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.