CID 24844276

102129-25-9

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=CC=C(O1)C2CC(=NN2C3=CC=CC=C3)CCN(C)C
InChI
InChI=1S/C18H23N3O/c1-14-9-10-18(22-14)17-13-15(11-12-20(2)3)19-21(17)16-7-5-4-6-8-16/h4-10,17H,11-13H2,1-3H3
InChIKey
XPTGEJZYUJACBI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

297.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 171.7
[M+Na]+ 320.17332 178.7
[M-H]- 296.17682 181.3
[M+NH4]+ 315.21792 186.9
[M+K]+ 336.14726 176.5
[M+H-H2O]+ 280.18136 162.5
[M+HCOO]- 342.18230 194.5
[M+CH3COO]- 356.19795 183.7
[M+Na-2H]- 318.15877 171.8
[M]+ 297.18355 174.7
[M]- 297.18465 174.7
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.