CID 3077461

134337-26-1

Structural Information

Molecular Formula
C18H17F3N4O2
SMILES
C1CN(CCN1CN2C3=C(C=CC=N3)OC2=O)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)24-9-7-23(8-10-24)12-25-16-15(27-17(25)26)5-2-6-22-16/h1-6,11H,7-10,12H2
InChIKey
RBRJDOPXFVWFDZ-UHFFFAOYSA-N
Compound name
3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

378.13037 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13765 188.2
[M+Na]+ 401.11959 198.1
[M-H]- 377.12309 190.7
[M+NH4]+ 396.16419 195.7
[M+K]+ 417.09353 191.9
[M+H-H2O]+ 361.12763 174.3
[M+HCOO]- 423.12857 199.3
[M+CH3COO]- 437.14422 196.6
[M+Na-2H]- 399.10504 190.4
[M]+ 378.12982 185.2
[M]- 378.13092 185.2
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