CID 86252

Brn 5447630

Structural Information

Molecular Formula
C14H19ClN4O
SMILES
C1CN(CCN1CC2CN=C(O2)N)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H19ClN4O/c15-12-3-1-2-4-13(12)19-7-5-18(6-8-19)10-11-9-17-14(16)20-11/h1-4,11H,5-10H2,(H2,16,17)
InChIKey
WCLAXUCLVJWBAU-UHFFFAOYSA-N
Compound name
5-[[4-(2-chlorophenyl)piperazin-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

294.12473 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13201 169.9
[M+Na]+ 317.11395 176.3
[M-H]- 293.11745 174.8
[M+NH4]+ 312.15855 181.5
[M+K]+ 333.08789 171.5
[M+H-H2O]+ 277.12199 159.5
[M+HCOO]- 339.12293 181.5
[M+CH3COO]- 353.13858 179.4
[M+Na-2H]- 315.09940 170.5
[M]+ 294.12418 166.5
[M]- 294.12528 166.5
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.