CID 365543

Nsc633244

Structural Information

Molecular Formula
C23H14F6N2O3
SMILES
C#CCN(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC#C)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C23H14F6N2O3/c1-3-13-30(20(33)22(24,25)26)17-9-5-15(6-10-17)19(32)16-7-11-18(12-8-16)31(14-4-2)21(34)23(27,28)29/h1-2,5-12H,13-14H2
InChIKey
KJCCXICGSJYVMF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-prop-2-ynyl-N-[4-[4-[prop-2-ynyl-(2,2,2-trifluoroacetyl)amino]benzoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.09085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.09813 204.4
[M+Na]+ 503.08007 211.2
[M-H]- 479.08357 202.3
[M+NH4]+ 498.12467 208.1
[M+K]+ 519.05401 205.9
[M+H-H2O]+ 463.08811 184.5
[M+HCOO]- 525.08905 206.7
[M+CH3COO]- 539.10470 248.6
[M+Na-2H]- 501.06552 198.3
[M]+ 480.09030 190.9
[M]- 480.09140 190.9
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

No patent data available for this compound.