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 176.2
[M+Na]+ 334.18899 188.3
[M+NH4]+ 329.23359 183.9
[M+K]+ 350.16293 184.6
[M-H]- 310.19249 182.7
[M+Na-2H]- 332.17444 183.8
[M]+ 311.19922 179.7
[M]- 311.20032 179.7
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

No patent data available for this compound.