CID 3683443

1-phenyl-3-[4-(propan-2-yl)phenyl]-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C18H19N3
SMILES
CC(C)C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3/c1-13(2)14-8-10-15(11-9-14)17-12-18(19)21(20-17)16-6-4-3-5-7-16/h3-13H,19H2,1-2H3
InChIKey
AYUSIJBBUDUBSY-UHFFFAOYSA-N
Compound name
2-phenyl-5-(4-propan-2-ylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1579 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16518 166.4
[M+Na]+ 300.14712 174.2
[M-H]- 276.15062 173.6
[M+NH4]+ 295.19172 180.9
[M+K]+ 316.12106 168.4
[M+H-H2O]+ 260.15516 156.7
[M+HCOO]- 322.15610 188.4
[M+CH3COO]- 336.17175 177.8
[M+Na-2H]- 298.13257 168.2
[M]+ 277.15735 165.0
[M]- 277.15845 165.0
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.