CID 24844270

102129-24-8

Structural Information

Molecular Formula
C21H29N3O
SMILES
CCN(CC)CCC1=NN(C(C1)C2=CC=C(O2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H29N3O/c1-5-23(6-2)14-13-18-15-20(21-12-9-17(4)25-21)24(22-18)19-10-7-16(3)8-11-19/h7-12,20H,5-6,13-15H2,1-4H3
InChIKey
QAHFQZORJIRLMB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[3-(5-methylfuran-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 185.7
[M+Na]+ 362.220268 192.3
[M-H]- 338.223774 195.1
[M+NH4]+ 357.264873 199.5
[M+K]+ 378.194208 189.3
[M+H-H2O]+ 322.228310 176.2
[M+HCOO]- 384.229251 207.4
[M+CH3COO]- 398.244901 219.1
[M+Na-2H]- 360.205716 183.5
[M]+ 339.23050142 190.1
[M]- 339.23159858 190.1
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.