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
1-benzyl-3-tert-butylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

229.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 155.2
[M+Na]+ 252.147118 163.4
[M-H]- 228.150624 159.3
[M+NH4]+ 247.191723 172.3
[M+K]+ 268.121058 159.4
[M+H-H2O]+ 212.155160 147.3
[M+HCOO]- 274.156101 176.6
[M+CH3COO]- 288.171751 193.4
[M+Na-2H]- 250.132566 159.5
[M]+ 229.15735142 154.7
[M]- 229.15844858 154.7
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