CID 503997

1-[3-(2-chlorophenyl)-5-(2-pyridyl)-3,4-dihydropyrazol-2-yl]-2-imidazol-1-yl-ethanone

Structural Information

Molecular Formula
C19H16ClN5O
SMILES
C1C(N(N=C1C2=CC=CC=N2)C(=O)CN3C=CN=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H16ClN5O/c20-15-6-2-1-5-14(15)18-11-17(16-7-3-4-8-22-16)23-25(18)19(26)12-24-10-9-21-13-24/h1-10,13,18H,11-12H2
InChIKey
NLSBMVCTJATIBD-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.10434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11162 184.5
[M+Na]+ 388.09356 193.2
[M-H]- 364.09706 191.1
[M+NH4]+ 383.13816 193.5
[M+K]+ 404.06750 185.9
[M+H-H2O]+ 348.10160 171.5
[M+HCOO]- 410.10254 197.5
[M+CH3COO]- 424.11819 193.7
[M+Na-2H]- 386.07901 183.2
[M]+ 365.10379 185.8
[M]- 365.10489 185.8
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.