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]+ 235.180496 152.9
[M+Na]+ 257.162438 156.0
[M-H]- 233.165944 158.4
[M+NH4]+ 252.207043 169.7
[M+K]+ 273.136378 159.4
[M+H-H2O]+ 217.170480 146.2
[M+HCOO]- 279.171421 177.7
[M+CH3COO]- 293.187071 202.5
[M+Na-2H]- 255.147886 157.2
[M]+ 234.17267142 152.2
[M]- 234.17376858 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.