CID 6448487

139193-93-4

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCN3CCN(CC3)C4=CC=CO4
InChI
InChI=1S/C22H25N3O3/c1-18-17-20(28-23-18)9-8-19-5-2-3-6-21(19)26-16-14-24-10-12-25(13-11-24)22-7-4-15-27-22/h2-9,15,17H,10-14,16H2,1H3/b9-8+
InChIKey
PKFJXGAAOJGOCB-CMDGGOBGSA-N
Compound name
5-[(E)-2-[2-[2-[4-(furan-2-yl)piperazin-1-yl]ethoxy]phenyl]ethenyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.196876 190.3
[M+Na]+ 402.178818 196.7
[M-H]- 378.182324 200.2
[M+NH4]+ 397.223423 198.2
[M+K]+ 418.152758 193.3
[M+H-H2O]+ 362.186860 179.5
[M+HCOO]- 424.187801 208.0
[M+CH3COO]- 438.203451 199.8
[M+Na-2H]- 400.164266 189.1
[M]+ 379.18905142 192.7
[M]- 379.19014858 192.7
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.