CID 51349201

4-(3-(trifluoromethyl)pyridin-2-yl)-n-(4-(trimethylsilyl)phenyl)benzamide

Structural Information

Molecular Formula
C22H21F3N2OSi
SMILES
C[Si](C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=C(C=CC=N3)C(F)(F)F
InChI
InChI=1S/C22H21F3N2OSi/c1-29(2,3)18-12-10-17(11-13-18)27-21(28)16-8-6-15(7-9-16)20-19(22(23,24)25)5-4-14-26-20/h4-14H,1-3H3,(H,27,28)
InChIKey
ATDYJIBFGKJFQE-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)pyridin-2-yl]-N-(4-trimethylsilylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

414.1375 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14478 197.3
[M+Na]+ 437.12672 204.1
[M-H]- 413.13022 201.6
[M+NH4]+ 432.17132 206.3
[M+K]+ 453.10066 197.5
[M+H-H2O]+ 397.13476 184.6
[M+HCOO]- 459.13570 212.2
[M+CH3COO]- 473.15135 225.6
[M+Na-2H]- 435.11217 199.8
[M]+ 414.13695 193.3
[M]- 414.13805 193.3
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

patents stripe