CID 118753229

Chembl3527046

Structural Information

Molecular Formula
C16H19FN4O
SMILES
C[C@@](C1=CC=C(C=C1)F)(C(=O)N2CCCC2)N3C=C(N=C3)N
InChI
InChI=1S/C16H19FN4O/c1-16(21-10-14(18)19-11-21,12-4-6-13(17)7-5-12)15(22)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9,18H2,1H3/t16-/m1/s1
InChIKey
HAMLHDLTXOXVBD-MRXNPFEDSA-N
Compound name
(2R)-2-(4-aminoimidazol-1-yl)-2-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1543 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16158 169.8
[M+Na]+ 325.14352 175.8
[M-H]- 301.14702 174.3
[M+NH4]+ 320.18812 183.3
[M+K]+ 341.11746 171.6
[M+H-H2O]+ 285.15156 159.5
[M+HCOO]- 347.15250 186.8
[M+CH3COO]- 361.16815 203.7
[M+Na-2H]- 323.12897 169.2
[M]+ 302.15375 165.1
[M]- 302.15485 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.