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]+ 294.123696 167.2
[M+Na]+ 316.105638 175.4
[M-H]- 292.109144 174.7
[M+NH4]+ 311.150243 180.8
[M+K]+ 332.079578 170.6
[M+H-H2O]+ 276.113680 157.4
[M+HCOO]- 338.114621 190.1
[M+CH3COO]- 352.130271 178.8
[M+Na-2H]- 314.091086 169.7
[M]+ 293.11587142 167.6
[M]- 293.11696858 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.