CID 4056155

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

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)16(21)15-11-19-20(17(15)18)13-5-3-2-4-6-13/h2-11H,18H2,1H3
InChIKey
VZVJLHGICYOOKN-UHFFFAOYSA-N
Compound name
(5-amino-1-phenylpyrazol-4-yl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 167.2
[M+Na]+ 316.10564 175.4
[M-H]- 292.10914 174.7
[M+NH4]+ 311.15024 180.8
[M+K]+ 332.07958 170.6
[M+H-H2O]+ 276.11368 157.4
[M+HCOO]- 338.11462 190.1
[M+CH3COO]- 352.13027 178.8
[M+Na-2H]- 314.09109 169.7
[M]+ 293.11587 167.6
[M]- 293.11697 167.6
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.