CID 1039936

[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](cyclopropyl)methanone

Structural Information

Molecular Formula
C16H11F3N2OS2
SMILES
C1CC1C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N
InChI
InChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2
InChIKey
UWBCHNUFEKEGCH-UHFFFAOYSA-N
Compound name
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

368.0265 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03378 162.5
[M+Na]+ 391.01572 175.4
[M-H]- 367.01922 169.0
[M+NH4]+ 386.06032 174.5
[M+K]+ 406.98966 167.7
[M+H-H2O]+ 351.02376 155.5
[M+HCOO]- 413.02470 173.5
[M+CH3COO]- 427.04035 173.7
[M+Na-2H]- 389.00117 161.3
[M]+ 368.02595 166.5
[M]- 368.02705 166.5
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

No patent data available for this compound.