CID 684746

1-benzyl-3-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C16H15N3
SMILES
C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C16H15N3/c17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13/h1-11H,12,17H2
InChIKey
XMEAHPOVYFOANY-UHFFFAOYSA-N
Compound name
2-benzyl-5-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

40
Patents

249.1266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 156.4
[M+Na]+ 272.11582 164.6
[M-H]- 248.11932 163.5
[M+NH4]+ 267.16042 171.9
[M+K]+ 288.08976 158.7
[M+H-H2O]+ 232.12386 146.7
[M+HCOO]- 294.12480 180.1
[M+CH3COO]- 308.14045 168.5
[M+Na-2H]- 270.10127 161.3
[M]+ 249.12605 154.6
[M]- 249.12715 154.6
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