CID 3063163

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

Structural Information

Molecular Formula
C16H24N4O3
SMILES
C1CN=C(N1)NC2=CC=C(C=C2)C(=O)CCN(CCO)CCO
InChI
InChI=1S/C16H24N4O3/c21-11-9-20(10-12-22)8-5-15(23)13-1-3-14(4-2-13)19-16-17-6-7-18-16/h1-4,21-22H,5-12H2,(H2,17,18,19)
InChIKey
ANNREBWYOKEMEN-UHFFFAOYSA-N
Compound name
3-[bis(2-hydroxyethyl)amino]-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

320.18484 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19212 174.6
[M+Na]+ 343.17406 176.7
[M-H]- 319.17756 175.2
[M+NH4]+ 338.21866 185.3
[M+K]+ 359.14800 173.1
[M+H-H2O]+ 303.18210 165.0
[M+HCOO]- 365.18304 193.0
[M+CH3COO]- 379.19869 206.4
[M+Na-2H]- 341.15951 175.6
[M]+ 320.18429 172.2
[M]- 320.18539 172.2
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.