CID 3072843

144881-41-4

Structural Information

Molecular Formula
C17H26N4O2
SMILES
CCCOC1=CC=C(C=C1)N2CCN(CC2)CC3CN=C(O3)N
InChI
InChI=1S/C17H26N4O2/c1-2-11-22-15-5-3-14(4-6-15)21-9-7-20(8-10-21)13-16-12-19-17(18)23-16/h3-6,16H,2,7-13H2,1H3,(H2,18,19)
InChIKey
RYACAMPFAMXCNV-UHFFFAOYSA-N
Compound name
5-[[4-(4-propoxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.20557 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.212846 178.0
[M+Na]+ 341.194788 182.2
[M-H]- 317.198294 182.8
[M+NH4]+ 336.239393 187.6
[M+K]+ 357.168728 178.9
[M+H-H2O]+ 301.202830 166.8
[M+HCOO]- 363.203771 193.5
[M+CH3COO]- 377.219421 186.6
[M+Na-2H]- 339.180236 177.8
[M]+ 318.20502142 175.0
[M]- 318.20611858 175.0
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.