CID 11648276

Tp-10

Structural Information

Molecular Formula
C26H19F3N4O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=NN(C=C4C5=CC=NC=C5)CC(F)(F)F
InChI
InChI=1S/C26H19F3N4O/c27-26(28,29)17-33-15-23(18-11-13-30-14-12-18)25(32-33)20-6-9-22(10-7-20)34-16-21-8-5-19-3-1-2-4-24(19)31-21/h1-15H,16-17H2
InChIKey
NOIXNOMHHWGUTG-UHFFFAOYSA-N
Compound name
2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7597
Patents

460.1511 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.15838 212.5
[M+Na]+ 483.14032 222.3
[M-H]- 459.14382 217.4
[M+NH4]+ 478.18492 217.2
[M+K]+ 499.11426 212.1
[M+H-H2O]+ 443.14836 196.1
[M+HCOO]- 505.14930 226.2
[M+CH3COO]- 519.16495 219.5
[M+Na-2H]- 481.12577 215.2
[M]+ 460.15055 212.0
[M]- 460.15165 212.0
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