CID 503998

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

Structural Information

Molecular Formula
C19H16BrN5O
SMILES
C1C(N(N=C1C2=CC=CC=N2)C(=O)CN3C=CN=C3)C4=CC=CC=C4Br
InChI
InChI=1S/C19H16BrN5O/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
VZRTVFOFZSFEPM-UHFFFAOYSA-N
Compound name
1-[3-(2-bromophenyl)-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

409.05383 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.06111 185.1
[M+Na]+ 432.04305 195.9
[M-H]- 408.04655 194.7
[M+NH4]+ 427.08765 196.1
[M+K]+ 448.01699 183.6
[M+H-H2O]+ 392.05109 181.0
[M+HCOO]- 454.05203 201.4
[M+CH3COO]- 468.06768 196.4
[M+Na-2H]- 430.02850 186.1
[M]+ 409.05328 203.2
[M]- 409.05438 203.2
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.