CID 27347

2-((3-(diethylamino)propyl)amino)tropone dihydrochloride

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCN(CC)CCCNC1=CC=CC=CC1=O
InChI
InChI=1S/C14H22N2O/c1-3-16(4-2)12-8-11-15-13-9-6-5-7-10-14(13)17/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,15,17)
InChIKey
HKBFPSGCJTWVDV-UHFFFAOYSA-N
Compound name
2-[3-(diethylamino)propylamino]cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 152.9
[M+Na]+ 257.16244 156.0
[M-H]- 233.16594 158.4
[M+NH4]+ 252.20704 169.7
[M+K]+ 273.13638 159.4
[M+H-H2O]+ 217.17048 146.2
[M+HCOO]- 279.17142 177.7
[M+CH3COO]- 293.18707 202.5
[M+Na-2H]- 255.14789 157.2
[M]+ 234.17267 152.2
[M]- 234.17377 152.2
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.