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]+ 277.165906 165.1
[M+Na]+ 299.147848 170.3
[M-H]- 275.151354 169.2
[M+NH4]+ 294.192453 175.9
[M+K]+ 315.121788 166.9
[M+H-H2O]+ 259.155890 154.9
[M+HCOO]- 321.156831 180.3
[M+CH3COO]- 335.172481 174.4
[M+Na-2H]- 297.133296 166.2
[M]+ 276.15808142 159.4
[M]- 276.15917858 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.