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]+ 354.217606 186.6
[M+Na]+ 376.199548 192.2
[M-H]- 352.203054 196.2
[M+NH4]+ 371.244153 195.8
[M+K]+ 392.173488 189.3
[M+H-H2O]+ 336.207590 176.3
[M+HCOO]- 398.208531 201.5
[M+CH3COO]- 412.224181 196.0
[M+Na-2H]- 374.184996 183.2
[M]+ 353.20978142 185.9
[M]- 353.21087858 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.