CID 2554551

1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C19H19N3
SMILES
C1CCC2=C(C1)C=CC(=C2)C3=NN(C(=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3/c20-19-13-18(21-22(19)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-13H,4-7,20H2
InChIKey
ACFDSTIGSDIANU-UHFFFAOYSA-N
Compound name
2-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.1579 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 168.1
[M+Na]+ 312.14712 175.1
[M-H]- 288.15062 175.4
[M+NH4]+ 307.19172 182.8
[M+K]+ 328.12106 168.3
[M+H-H2O]+ 272.15516 157.9
[M+HCOO]- 334.15610 187.6
[M+CH3COO]- 348.17175 178.7
[M+Na-2H]- 310.13257 171.4
[M]+ 289.15735 163.5
[M]- 289.15845 163.5
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

patents stripe