CID 3621982

3-amino-6-phenyl-n-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C23H14F3N5OS2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=NN=C(S4)C5=CC=CC=C5)N
InChI
InChI=1S/C23H14F3N5OS2/c24-23(25,26)14-11-15(12-7-3-1-4-8-12)28-21-16(14)17(27)18(33-21)19(32)29-22-31-30-20(34-22)13-9-5-2-6-10-13/h1-11H,27H2,(H,29,31,32)
InChIKey
WAYUIMJKUSJLFU-UHFFFAOYSA-N
Compound name
3-amino-6-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.05917 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.06645 207.3
[M+Na]+ 520.04839 219.3
[M-H]- 496.05189 214.9
[M+NH4]+ 515.09299 215.6
[M+K]+ 536.02233 209.8
[M+H-H2O]+ 480.05643 197.5
[M+HCOO]- 542.05737 217.0
[M+CH3COO]- 556.07302 215.6
[M+Na-2H]- 518.03384 206.9
[M]+ 497.05862 208.9
[M]- 497.05972 208.9
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.