CID 4347138

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

Structural Information

Molecular Formula
C17H14ClN3O2
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H14ClN3O2/c1-23-14-8-2-11(3-9-14)16(22)15-10-20-21(17(15)19)13-6-4-12(18)5-7-13/h2-10H,19H2,1H3
InChIKey
TXQJVOQMPKLKOQ-UHFFFAOYSA-N
Compound name
[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08473 174.7
[M+Na]+ 350.06667 190.0
[M+NH4]+ 345.11127 182.1
[M+K]+ 366.04061 184.2
[M-H]- 326.07017 179.9
[M+Na-2H]- 348.05212 184.0
[M]+ 327.07690 178.6
[M]- 327.07800 178.6
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.