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]+ 326.222696 180.9
[M+Na]+ 348.204638 187.0
[M-H]- 324.208144 190.0
[M+NH4]+ 343.249243 194.9
[M+K]+ 364.178578 184.3
[M+H-H2O]+ 308.212680 171.2
[M+HCOO]- 370.213621 203.0
[M+CH3COO]- 384.229271 215.0
[M+Na-2H]- 346.190086 179.8
[M]+ 325.21487142 184.5
[M]- 325.21596858 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.