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

44
Patents

229.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 155.2
[M+Na]+ 252.14712 163.4
[M-H]- 228.15062 159.3
[M+NH4]+ 247.19172 172.3
[M+K]+ 268.12106 159.4
[M+H-H2O]+ 212.15516 147.3
[M+HCOO]- 274.15610 176.6
[M+CH3COO]- 288.17175 193.4
[M+Na-2H]- 250.13257 159.5
[M]+ 229.15735 154.7
[M]- 229.15845 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