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
1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-5-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]+ 278.165176 166.4
[M+Na]+ 300.147118 174.2
[M-H]- 276.150624 173.6
[M+NH4]+ 295.191723 180.9
[M+K]+ 316.121058 168.4
[M+H-H2O]+ 260.155160 156.7
[M+HCOO]- 322.156101 188.4
[M+CH3COO]- 336.171751 177.8
[M+Na-2H]- 298.132566 168.2
[M]+ 277.15735142 165.0
[M]- 277.15844858 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.