CID 16769290

1-benzyl-3-tert-butyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C14H19N3
SMILES
CC(C)(C)C1=NN(C(=C1)N)CC2=CC=CC=C2
InChI
InChI=1S/C14H19N3/c1-14(2,3)12-9-13(15)17(16-12)10-11-7-5-4-6-8-11/h4-9H,10,15H2,1-3H3
InChIKey
HOUXXJHKQHEAJO-UHFFFAOYSA-N
Compound name
2-benzyl-5-tert-butylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

229.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 154.8
[M+Na]+ 252.14712 167.1
[M+NH4]+ 247.19172 162.6
[M+K]+ 268.12106 162.5
[M-H]- 228.15062 157.8
[M+Na-2H]- 250.13257 162.4
[M]+ 229.15735 157.4
[M]- 229.15845 157.4
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