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]+ 340.23833 185.7
[M+Na]+ 362.22027 192.3
[M-H]- 338.22377 195.1
[M+NH4]+ 357.26487 199.5
[M+K]+ 378.19421 189.3
[M+H-H2O]+ 322.22831 176.2
[M+HCOO]- 384.22925 207.4
[M+CH3COO]- 398.24490 219.1
[M+Na-2H]- 360.20572 183.5
[M]+ 339.23050 190.1
[M]- 339.23160 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.