CID 3072943

145204-19-9

Structural Information

Molecular Formula
C16H22N4O3
SMILES
CC(=O)OC1=CC=C(C=C1)N2CCN(CC2)CC3CN=C(O3)N
InChI
InChI=1S/C16H22N4O3/c1-12(21)22-14-4-2-13(3-5-14)20-8-6-19(7-9-20)11-15-10-18-16(17)23-15/h2-5,15H,6-11H2,1H3,(H2,17,18)
InChIKey
WBMVOEWKQHZYFQ-UHFFFAOYSA-N
Compound name
[4-[4-[(2-amino-4,5-dihydro-1,3-oxazol-5-yl)methyl]piperazin-1-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1692 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.176476 176.0
[M+Na]+ 341.158418 180.5
[M-H]- 317.161924 181.3
[M+NH4]+ 336.203023 185.5
[M+K]+ 357.132358 178.1
[M+H-H2O]+ 301.166460 165.3
[M+HCOO]- 363.167401 191.3
[M+CH3COO]- 377.183051 207.0
[M+Na-2H]- 339.143866 175.4
[M]+ 318.16865142 172.7
[M]- 318.16974858 172.7
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.