CID 24844282

102129-28-2

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CC1=CC=C(C=C1)N2C(CC(=N2)CCN3CCOCC3)C4=CC=CO4
InChI
InChI=1S/C20H25N3O2/c1-16-4-6-18(7-5-16)23-19(20-3-2-12-25-20)15-17(21-23)8-9-22-10-13-24-14-11-22/h2-7,12,19H,8-11,13-15H2,1H3
InChIKey
DHJQUWLGXYTJAY-UHFFFAOYSA-N
Compound name
4-[2-[3-(furan-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

339.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 181.3
[M+Na]+ 362.18389 186.4
[M-H]- 338.18739 190.6
[M+NH4]+ 357.22849 190.7
[M+K]+ 378.15783 183.7
[M+H-H2O]+ 322.19193 170.8
[M+HCOO]- 384.19287 196.5
[M+CH3COO]- 398.20852 190.7
[M+Na-2H]- 360.16934 179.1
[M]+ 339.19412 179.7
[M]- 339.19522 179.7
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.