CID 2434766

1-phenyl-3-(2,4,5-trimethylphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C18H19N3
SMILES
CC1=CC(=C(C=C1C)C2=NN(C(=C2)N)C3=CC=CC=C3)C
InChI
InChI=1S/C18H19N3/c1-12-9-14(3)16(10-13(12)2)17-11-18(19)21(20-17)15-7-5-4-6-8-15/h4-11H,19H2,1-3H3
InChIKey
NJKZHIVNAOXSHK-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 166.9
[M+Na]+ 300.147118 177.0
[M-H]- 276.150624 174.9
[M+NH4]+ 295.191723 182.2
[M+K]+ 316.121058 170.7
[M+H-H2O]+ 260.155160 157.6
[M+HCOO]- 322.156101 189.9
[M+CH3COO]- 336.171751 179.2
[M+Na-2H]- 298.132566 168.4
[M]+ 277.15735142 167.0
[M]- 277.15844858 167.0
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

patents stripe