CID 1157647

3-amino-6-ph-n-(1,3-thiazol-2-yl)4-(tri-f-me)thieno(2,3-b)pyridine-2-carboxamide

Structural Information

Molecular Formula
C18H11F3N4OS2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=NC=CS4)N
InChI
InChI=1S/C18H11F3N4OS2/c19-18(20,21)10-8-11(9-4-2-1-3-5-9)24-16-12(10)13(22)14(28-16)15(26)25-17-23-6-7-27-17/h1-8H,22H2,(H,23,25,26)
InChIKey
OLUXKLKHUCLHCT-UHFFFAOYSA-N
Compound name
3-amino-6-phenyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

420.03262 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.03990 188.3
[M+Na]+ 443.02184 200.3
[M-H]- 419.02534 194.0
[M+NH4]+ 438.06644 201.3
[M+K]+ 458.99578 192.3
[M+H-H2O]+ 403.02988 179.6
[M+HCOO]- 465.03082 199.4
[M+CH3COO]- 479.04647 198.2
[M+Na-2H]- 441.00729 188.2
[M]+ 420.03207 189.7
[M]- 420.03317 189.7
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