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 177.5
[M+Na]+ 351.07497 184.9
[M-H]- 327.07847 181.8
[M+NH4]+ 346.11957 188.3
[M+K]+ 367.04891 179.1
[M+H-H2O]+ 311.08301 167.3
[M+HCOO]- 373.08395 183.6
[M+CH3COO]- 387.09960 186.3
[M+Na-2H]- 349.06042 176.3
[M]+ 328.08520 175.4
[M]- 328.08630 175.4
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.