CID 93499

Pipoxazole

Structural Information

Molecular Formula
C14H20N4O
SMILES
C1CN(CCN1CC2CN=C(O2)N)C3=CC=CC=C3
InChI
InChI=1S/C14H20N4O/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,16)
InChIKey
XSZLHACSCSAKOF-UHFFFAOYSA-N
Compound name
5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

260.1637 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 162.1
[M+Na]+ 283.15292 173.7
[M+NH4]+ 278.19752 169.5
[M+K]+ 299.12686 169.4
[M-H]- 259.15642 167.7
[M+Na-2H]- 281.13837 168.8
[M]+ 260.16315 165.1
[M]- 260.16425 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe