CID 3063151

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

Structural Information

Molecular Formula
C14H20N4O
SMILES
CN(C)CCC(=O)C1=CC=C(C=C1)NC2=NCCN2
InChI
InChI=1S/C14H20N4O/c1-18(2)10-7-13(19)11-3-5-12(6-4-11)17-14-15-8-9-16-14/h3-6H,7-10H2,1-2H3,(H2,15,16,17)
InChIKey
YUCAGUZKZNQPHY-UHFFFAOYSA-N
Compound name
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1637 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.170976 161.4
[M+Na]+ 283.152918 165.7
[M-H]- 259.156424 165.1
[M+NH4]+ 278.197523 176.2
[M+K]+ 299.126858 162.9
[M+H-H2O]+ 243.160960 152.0
[M+HCOO]- 305.161901 183.1
[M+CH3COO]- 319.177551 200.8
[M+Na-2H]- 281.138366 164.0
[M]+ 260.16315142 159.3
[M]- 260.16424858 159.3
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.