CID 4277930

3-(2-methylphenyl)-1-phenyl-1h-pyrazol-5-ylamine

Structural Information

Molecular Formula
C16H15N3
SMILES
CC1=CC=CC=C1C2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3/c1-12-7-5-6-10-14(12)15-11-16(17)19(18-15)13-8-3-2-4-9-13/h2-11H,17H2,1H3
InChIKey
DGEZETVPZYHXIQ-UHFFFAOYSA-N
Compound name
5-(2-methylphenyl)-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1266 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 157.0
[M+Na]+ 272.11582 166.1
[M-H]- 248.11932 164.5
[M+NH4]+ 267.16042 172.8
[M+K]+ 288.08976 160.3
[M+H-H2O]+ 232.12386 147.6
[M+HCOO]- 294.12480 180.7
[M+CH3COO]- 308.14045 169.5
[M+Na-2H]- 270.10127 161.1
[M]+ 249.12605 155.6
[M]- 249.12715 155.6
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.