CID 504003

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

Structural Information

Molecular Formula
C20H19N5O
SMILES
CC1=CC=CC=C1C2CC(=NN2C(=O)CN3C=CN=C3)C4=CC=CC=N4
InChI
InChI=1S/C20H19N5O/c1-15-6-2-3-7-16(15)19-12-18(17-8-4-5-9-22-17)23-25(19)20(26)13-24-11-10-21-14-24/h2-11,14,19H,12-13H2,1H3
InChIKey
MOPHAGLFWOIMKR-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-[3-(2-methylphenyl)-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15897 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16625 181.8
[M+Na]+ 368.14819 189.6
[M-H]- 344.15169 188.8
[M+NH4]+ 363.19279 191.0
[M+K]+ 384.12213 183.3
[M+H-H2O]+ 328.15623 169.3
[M+HCOO]- 390.15717 199.4
[M+CH3COO]- 404.17282 191.3
[M+Na-2H]- 366.13364 180.8
[M]+ 345.15842 181.6
[M]- 345.15952 181.6
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.