CID 449014

Fr239087

Structural Information

Molecular Formula
C15H17Cl2N3O2
SMILES
C[C@@H]([C@@H](CCC1=C(C(=CC=C1)Cl)Cl)N2C=C(N=C2)C(=O)N)O
InChI
InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1
InChIKey
HCJYSIGJDKNVRU-TVQRCGJNSA-N
Compound name
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

341.0698 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07708 175.8
[M+Na]+ 364.05902 183.6
[M-H]- 340.06252 177.9
[M+NH4]+ 359.10362 188.5
[M+K]+ 380.03296 177.3
[M+H-H2O]+ 324.06706 168.6
[M+HCOO]- 386.06800 184.9
[M+CH3COO]- 400.08365 209.4
[M+Na-2H]- 362.04447 173.2
[M]+ 341.06925 178.3
[M]- 341.07035 178.3
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.