CID 4079122

(5-amino-1-(2-methoxyphenyl)-1h-pyrazol-4-yl)(4-bromophenyl)methanone

Structural Information

Molecular Formula
C17H14BrN3O2
SMILES
COC1=CC=CC=C1N2C(=C(C=N2)C(=O)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C17H14BrN3O2/c1-23-15-5-3-2-4-14(15)21-17(19)13(10-20-21)16(22)11-6-8-12(18)9-7-11/h2-10H,19H2,1H3
InChIKey
UQMWRRTWMBOXOD-UHFFFAOYSA-N
Compound name
[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl]-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.02695 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03423 180.5
[M+Na]+ 394.01617 184.9
[M+NH4]+ 389.06077 183.9
[M+K]+ 409.99011 185.7
[M-H]- 370.01967 183.5
[M+Na-2H]- 392.00162 185.3
[M]+ 371.02640 180.7
[M]- 371.02750 180.7
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.