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]+ 230.16518 153.7
[M+Na]+ 252.14712 160.5
[M-H]- 228.15062 158.9
[M+NH4]+ 247.19172 171.1
[M+K]+ 268.12106 157.8
[M+H-H2O]+ 212.15516 144.4
[M+HCOO]- 274.15610 177.8
[M+CH3COO]- 288.17175 196.7
[M+Na-2H]- 250.13257 158.3
[M]+ 229.15735 155.6
[M]- 229.15845 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.