CID 206690

Pyrazole, 1-benzyl-4-(diethylamino)-

Structural Information

Molecular Formula
C14H19N3
SMILES
CCN(CC)C1=CN(N=C1)CC2=CC=CC=C2
InChI
InChI=1S/C14H19N3/c1-3-16(4-2)14-10-15-17(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3
InChIKey
PZYHACQBECIRRD-UHFFFAOYSA-N
Compound name
1-benzyl-N,N-diethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 153.7
[M+Na]+ 252.147118 160.5
[M-H]- 228.150624 158.9
[M+NH4]+ 247.191723 171.1
[M+K]+ 268.121058 157.8
[M+H-H2O]+ 212.155160 144.4
[M+HCOO]- 274.156101 177.8
[M+CH3COO]- 288.171751 196.7
[M+Na-2H]- 250.132566 158.3
[M]+ 229.15735142 155.6
[M]- 229.15844858 155.6
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

No patent data available for this compound.