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]+ 380.19688 190.3
[M+Na]+ 402.17882 196.7
[M-H]- 378.18232 200.2
[M+NH4]+ 397.22342 198.2
[M+K]+ 418.15276 193.3
[M+H-H2O]+ 362.18686 179.5
[M+HCOO]- 424.18780 208.0
[M+CH3COO]- 438.20345 199.8
[M+Na-2H]- 400.16427 189.1
[M]+ 379.18905 192.7
[M]- 379.19015 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.