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
2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-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]+ 278.16518 166.9
[M+Na]+ 300.14712 177.0
[M-H]- 276.15062 174.9
[M+NH4]+ 295.19172 182.2
[M+K]+ 316.12106 170.7
[M+H-H2O]+ 260.15516 157.6
[M+HCOO]- 322.15610 189.9
[M+CH3COO]- 336.17175 179.2
[M+Na-2H]- 298.13257 168.4
[M]+ 277.15735 167.0
[M]- 277.15845 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