CID 24844268

102129-23-7

Structural Information

Molecular Formula
C20H27N3O
SMILES
CCN(CC)CCC1=NN(C(C1)C2=CC=C(O2)C)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3O/c1-4-22(5-2)14-13-17-15-19(20-12-11-16(3)24-20)23(21-17)18-9-7-6-8-10-18/h6-12,19H,4-5,13-15H2,1-3H3
InChIKey
VKQOGICIPHNRHY-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[3-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 180.9
[M+Na]+ 348.20464 187.0
[M-H]- 324.20814 190.0
[M+NH4]+ 343.24924 194.9
[M+K]+ 364.17858 184.3
[M+H-H2O]+ 308.21268 171.2
[M+HCOO]- 370.21362 203.0
[M+CH3COO]- 384.22927 215.0
[M+Na-2H]- 346.19009 179.8
[M]+ 325.21487 184.5
[M]- 325.21597 184.5
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.