CID 619285

3-methyl-1,4-diphenyl-1h-pyrazol-5-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

8
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

patents stripe