CID 3036067

134336-98-4

Structural Information

Molecular Formula
C19H19F3N4O2
SMILES
C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-1-4-15(13-14)25-10-7-24(8-11-25)9-12-26-17-16(28-18(26)27)5-2-6-23-17/h1-6,13H,7-12H2
InChIKey
YQARSAGBQNDCCY-UHFFFAOYSA-N
Compound name
3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

392.146 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15328 192.7
[M+Na]+ 415.13522 202.1
[M-H]- 391.13872 194.9
[M+NH4]+ 410.17982 199.6
[M+K]+ 431.10916 195.7
[M+H-H2O]+ 375.14326 178.6
[M+HCOO]- 437.14420 203.4
[M+CH3COO]- 451.15985 200.6
[M+Na-2H]- 413.12067 194.3
[M]+ 392.14545 190.0
[M]- 392.14655 190.0
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