CID 86250

Brn 5449354

Structural Information

Molecular Formula
C14H18Cl2N4O
SMILES
C1CN(CCN1CC2CN=C(O2)N)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H18Cl2N4O/c15-12-2-1-10(7-13(12)16)20-5-3-19(4-6-20)9-11-8-18-14(17)21-11/h1-2,7,11H,3-6,8-9H2,(H2,17,18)
InChIKey
VJTAPTNTBCXQPO-UHFFFAOYSA-N
Compound name
5-[[4-(3,4-dichlorophenyl)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

328.08575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09303 173.8
[M+Na]+ 351.07497 187.4
[M+NH4]+ 346.11957 181.5
[M+K]+ 367.04891 181.7
[M-H]- 327.07847 179.3
[M+Na-2H]- 349.06042 179.9
[M]+ 328.08520 177.7
[M]- 328.08630 177.7
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.