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]+ 262.16625 161.5
[M+Na]+ 284.14819 166.8
[M-H]- 260.15169 165.3
[M+NH4]+ 279.19279 171.9
[M+K]+ 300.12213 163.6
[M+H-H2O]+ 244.15623 150.1
[M+HCOO]- 306.15717 176.9
[M+CH3COO]- 320.17282 170.9
[M+Na-2H]- 282.13364 164.0
[M]+ 261.15842 155.9
[M]- 261.15952 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.