CID 24844288

102129-32-8

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC1=CC=C(C=C1)N2C(CC(=N2)CCN3CCOCC3)C4=CC=C(O4)C
InChI
InChI=1S/C21H27N3O2/c1-16-3-6-19(7-4-16)24-20(21-8-5-17(2)26-21)15-18(22-24)9-10-23-11-13-25-14-12-23/h3-8,20H,9-15H2,1-2H3
InChIKey
XAXNCKKWJQUEIX-UHFFFAOYSA-N
Compound name
4-[2-[3-(5-methylfuran-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.6
[M+Na]+ 376.19955 192.2
[M-H]- 352.20305 196.2
[M+NH4]+ 371.24415 195.8
[M+K]+ 392.17349 189.3
[M+H-H2O]+ 336.20759 176.3
[M+HCOO]- 398.20853 201.5
[M+CH3COO]- 412.22418 196.0
[M+Na-2H]- 374.18500 183.2
[M]+ 353.20978 185.9
[M]- 353.21088 185.9
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.