CID 3077455

Oxazolo(4,5-b)pyridin-2(3h)-one, 3-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C20H21F3N4O2
SMILES
C1CN(CCN1CCCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C20H21F3N4O2/c21-20(22,23)15-4-1-5-16(14-15)26-12-10-25(11-13-26)8-3-9-27-18-17(29-19(27)28)6-2-7-24-18/h1-2,4-7,14H,3,8-13H2
InChIKey
SQFBOHNTWAUCHN-UHFFFAOYSA-N
Compound name
3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

406.16165 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16893 197.2
[M+Na]+ 429.15087 206.0
[M-H]- 405.15437 199.2
[M+NH4]+ 424.19547 203.5
[M+K]+ 445.12481 199.5
[M+H-H2O]+ 389.15891 182.8
[M+HCOO]- 451.15985 207.4
[M+CH3COO]- 465.17550 204.6
[M+Na-2H]- 427.13632 198.3
[M]+ 406.16110 194.7
[M]- 406.16220 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe