CID 24844264

102129-21-5

Structural Information

Molecular Formula
C19H25N3O
SMILES
CCN(CC)CCC1=NN(C(C1)C2=CC=CO2)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O/c1-3-21(4-2)13-12-16-15-18(19-11-8-14-23-19)22(20-16)17-9-6-5-7-10-17/h5-11,14,18H,3-4,12-13,15H2,1-2H3
InChIKey
MLEJVLKJTNRBND-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 176.0
[M+Na]+ 334.18899 181.5
[M-H]- 310.19249 184.9
[M+NH4]+ 329.23359 190.2
[M+K]+ 350.16293 179.1
[M+H-H2O]+ 294.19703 166.1
[M+HCOO]- 356.19797 198.4
[M+CH3COO]- 370.21362 210.9
[M+Na-2H]- 332.17444 176.1
[M]+ 311.19922 178.8
[M]- 311.20032 178.8
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.