CID 86253

Brn 5449420

Structural Information

Molecular Formula
C16H24N4O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CC3CN=C(O3)N
InChI
InChI=1S/C16H24N4O2/c1-2-21-15-6-4-3-5-14(15)20-9-7-19(8-10-20)12-13-11-18-16(17)22-13/h3-6,13H,2,7-12H2,1H3,(H2,17,18)
InChIKey
SEGXVZIYBPMHEY-UHFFFAOYSA-N
Compound name
5-[[4-(2-ethoxyphenyl)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

304.1899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.197176 173.6
[M+Na]+ 327.179118 178.3
[M-H]- 303.182624 178.7
[M+NH4]+ 322.223723 183.9
[M+K]+ 343.153058 175.3
[M+H-H2O]+ 287.187160 162.7
[M+HCOO]- 349.188101 189.5
[M+CH3COO]- 363.203751 182.7
[M+Na-2H]- 325.164566 174.0
[M]+ 304.18935142 170.3
[M]- 304.19044858 170.3
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.