CID 3072838

4,5-dihydro-5-((4-(3,4-dimethoxyphenyl)-1-piperazinyl)methyl)-2-oxazolamine

Structural Information

Molecular Formula
C16H24N4O3
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)CC3CN=C(O3)N)OC
InChI
InChI=1S/C16H24N4O3/c1-21-14-4-3-12(9-15(14)22-2)20-7-5-19(6-8-20)11-13-10-18-16(17)23-13/h3-4,9,13H,5-8,10-11H2,1-2H3,(H2,17,18)
InChIKey
VOEJEBYLMKSOQH-UHFFFAOYSA-N
Compound name
5-[[4-(3,4-dimethoxyphenyl)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

320.18484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19212 177.0
[M+Na]+ 343.17406 182.5
[M-H]- 319.17756 182.5
[M+NH4]+ 338.21866 186.9
[M+K]+ 359.14800 180.0
[M+H-H2O]+ 303.18210 166.3
[M+HCOO]- 365.18304 193.1
[M+CH3COO]- 379.19869 208.7
[M+Na-2H]- 341.15951 176.8
[M]+ 320.18429 175.5
[M]- 320.18539 175.5
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.