CID 43162406

1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1CN(CCN1)CC2=NC=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)13-10-16-14(18-13)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2
InChIKey
JDCCWCNNHAYIDF-UHFFFAOYSA-N
Compound name
5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 155.6
[M+Na]+ 266.12638 161.0
[M-H]- 242.12988 159.7
[M+NH4]+ 261.17098 167.8
[M+K]+ 282.10032 157.2
[M+H-H2O]+ 226.13442 145.4
[M+HCOO]- 288.13536 171.6
[M+CH3COO]- 302.15101 165.8
[M+Na-2H]- 264.11183 159.4
[M]+ 243.13661 150.6
[M]- 243.13771 150.6
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

patents stripe