CID 4121554

41554-51-2

Structural Information

Molecular Formula
C16H15N3O
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C16H15N3O/c1-20-14-9-7-13(8-10-14)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKey
JBFQWKFLFKHZRD-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

265.12152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 160.2
[M+Na]+ 288.11074 169.1
[M-H]- 264.11424 167.7
[M+NH4]+ 283.15534 175.2
[M+K]+ 304.08468 163.9
[M+H-H2O]+ 248.11878 150.5
[M+HCOO]- 310.11972 184.1
[M+CH3COO]- 324.13537 172.4
[M+Na-2H]- 286.09619 164.3
[M]+ 265.12097 160.1
[M]- 265.12207 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe