CID 3063153

1-propanone, 3-(diethylamino)-1-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)-, monohydriodide

Structural Information

Molecular Formula
C16H24N4O
SMILES
CCN(CC)CCC(=O)C1=CC=C(C=C1)NC2=NCCN2
InChI
InChI=1S/C16H24N4O/c1-3-20(4-2)12-9-15(21)13-5-7-14(8-6-13)19-16-17-10-11-18-16/h5-8H,3-4,9-12H2,1-2H3,(H2,17,18,19)
InChIKey
OHEFQLDJFNKYKA-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20228 170.3
[M+Na]+ 311.18422 173.7
[M-H]- 287.18772 173.6
[M+NH4]+ 306.22882 183.9
[M+K]+ 327.15816 170.4
[M+H-H2O]+ 271.19226 160.5
[M+HCOO]- 333.19320 191.2
[M+CH3COO]- 347.20885 206.8
[M+Na-2H]- 309.16967 171.8
[M]+ 288.19445 168.8
[M]- 288.19555 168.8
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.