CID 503996

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

Structural Information

Molecular Formula
C19H17N5O
SMILES
C1C(N(N=C1C2=CC=CC=N2)C(=O)CN3C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H17N5O/c25-19(13-23-11-10-20-14-23)24-18(15-6-2-1-3-7-15)12-17(22-24)16-8-4-5-9-21-16/h1-11,14,18H,12-13H2
InChIKey
WBQPAWGTCABRHW-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 176.7
[M+Na]+ 354.13252 184.0
[M-H]- 330.13602 183.4
[M+NH4]+ 349.17712 186.1
[M+K]+ 370.10646 178.0
[M+H-H2O]+ 314.14056 164.0
[M+HCOO]- 376.14150 194.6
[M+CH3COO]- 390.15715 186.2
[M+Na-2H]- 352.11797 177.0
[M]+ 331.14275 175.7
[M]- 331.14385 175.7
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.