CID 86181

Brn 5445419

Structural Information

Molecular Formula
C13H19N5O
SMILES
C1CN(CCN1CC2CN=C(O2)N)C3=CC=CC=N3
InChI
InChI=1S/C13H19N5O/c14-13-16-9-11(19-13)10-17-5-7-18(8-6-17)12-3-1-2-4-15-12/h1-4,11H,5-10H2,(H2,14,16)
InChIKey
FDMZYWCLSJXOCU-UHFFFAOYSA-N
Compound name
5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15897 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.166246 161.5
[M+Na]+ 284.148188 166.8
[M-H]- 260.151694 165.3
[M+NH4]+ 279.192793 171.9
[M+K]+ 300.122128 163.6
[M+H-H2O]+ 244.156230 150.1
[M+HCOO]- 306.157171 176.9
[M+CH3COO]- 320.172821 170.9
[M+Na-2H]- 282.133636 164.0
[M]+ 261.15842142 155.9
[M]- 261.15951858 155.9
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.