CID 551121

132786-13-1

Structural Information

Molecular Formula
C14H20N4O2
SMILES
C1CN(CCN1CC2CN=C(O2)N)C3=CC=C(C=C3)O
InChI
InChI=1S/C14H20N4O2/c15-14-16-9-13(20-14)10-17-5-7-18(8-6-17)11-1-3-12(19)4-2-11/h1-4,13,19H,5-10H2,(H2,15,16)
InChIKey
SVCKXMSSGFPRCL-UHFFFAOYSA-N
Compound name
4-[4-[(2-amino-4,5-dihydro-1,3-oxazol-5-yl)methyl]piperazin-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 165.1
[M+Na]+ 299.14785 170.3
[M-H]- 275.15135 169.2
[M+NH4]+ 294.19245 175.9
[M+K]+ 315.12179 166.9
[M+H-H2O]+ 259.15589 154.9
[M+HCOO]- 321.15683 180.3
[M+CH3COO]- 335.17248 174.4
[M+Na-2H]- 297.13330 166.2
[M]+ 276.15808 159.4
[M]- 276.15918 159.4
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.