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]+ 305.19718 173.6
[M+Na]+ 327.17912 178.3
[M-H]- 303.18262 178.7
[M+NH4]+ 322.22372 183.9
[M+K]+ 343.15306 175.3
[M+H-H2O]+ 287.18716 162.7
[M+HCOO]- 349.18810 189.5
[M+CH3COO]- 363.20375 182.7
[M+Na-2H]- 325.16457 174.0
[M]+ 304.18935 170.3
[M]- 304.19045 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.