CID 2060622

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

Structural Information

Molecular Formula
C16H15N3
SMILES
CC1=CC(=CC=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3/c1-12-6-5-7-13(10-12)15-11-16(17)19(18-15)14-8-3-2-4-9-14/h2-11H,17H2,1H3
InChIKey
YQKMTPVPJUJCIQ-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)-1-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
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]+ 250.133876 157.0
[M+Na]+ 272.115818 166.1
[M-H]- 248.119324 164.5
[M+NH4]+ 267.160423 172.8
[M+K]+ 288.089758 160.3
[M+H-H2O]+ 232.123860 147.6
[M+HCOO]- 294.124801 180.7
[M+CH3COO]- 308.140451 169.5
[M+Na-2H]- 270.101266 161.1
[M]+ 249.12605142 155.6
[M]- 249.12714858 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

literature stripe

Patent stripe

No patent data available for this compound.