CID 86183

4,5-dihydro-5-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-2-oxazolamine

Structural Information

Molecular Formula
C15H19F3N4O
SMILES
C1CN(CCN1CC2CN=C(O2)N)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H19F3N4O/c16-15(17,18)11-2-1-3-12(8-11)22-6-4-21(5-7-22)10-13-9-20-14(19)23-13/h1-3,8,13H,4-7,9-10H2,(H2,19,20)
InChIKey
YTWIPINUWDJHFC-UHFFFAOYSA-N
Compound name
5-[[4-[3-(trifluoromethyl)phenyl]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

328.1511 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15838 175.8
[M+Na]+ 351.14032 181.8
[M-H]- 327.14382 177.2
[M+NH4]+ 346.18492 185.2
[M+K]+ 367.11426 177.4
[M+H-H2O]+ 311.14836 163.1
[M+HCOO]- 373.14930 187.0
[M+CH3COO]- 387.16495 208.0
[M+Na-2H]- 349.12577 175.7
[M]+ 328.15055 167.0
[M]- 328.15165 167.0
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.