CID 93499

91595-86-7

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

11
Patents

260.1637 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.170976 161.3
[M+Na]+ 283.152918 166.1
[M-H]- 259.156424 166.2
[M+NH4]+ 278.197523 173.2
[M+K]+ 299.126858 162.9
[M+H-H2O]+ 243.160960 150.6
[M+HCOO]- 305.161901 177.7
[M+CH3COO]- 319.177551 171.1
[M+Na-2H]- 281.138366 163.4
[M]+ 260.16315142 155.5
[M]- 260.16424858 155.5
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