CID 206689

Brn 0520385

Structural Information

Molecular Formula
C14H19N3
SMILES
CC1=C(C(=NN1CC2=CC=CC=C2)C)N(C)C
InChI
InChI=1S/C14H19N3/c1-11-14(16(3)4)12(2)17(15-11)10-13-8-6-5-7-9-13/h5-9H,10H2,1-4H3
InChIKey
YYEQFJRCGFGWDI-UHFFFAOYSA-N
Compound name
1-benzyl-N,N,3,5-tetramethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 153.6
[M+Na]+ 252.147118 162.3
[M-H]- 228.150624 159.7
[M+NH4]+ 247.191723 171.7
[M+K]+ 268.121058 159.6
[M+H-H2O]+ 212.155160 145.0
[M+HCOO]- 274.156101 177.7
[M+CH3COO]- 288.171751 199.0
[M+Na-2H]- 250.132566 156.7
[M]+ 229.15735142 156.3
[M]- 229.15844858 156.3
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.