CID 1157653

2-(4-morpholinylcarbonyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-ylamine

Structural Information

Molecular Formula
C17H14F3N3O2S2
SMILES
C1COCCN1C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N
InChI
InChI=1S/C17H14F3N3O2S2/c18-17(19,20)9-8-10(11-2-1-7-26-11)22-15-12(9)13(21)14(27-15)16(24)23-3-5-25-6-4-23/h1-2,7-8H,3-6,21H2
InChIKey
GSDLUULWVBHPMS-UHFFFAOYSA-N
Compound name
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.04794 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.05522 187.4
[M+Na]+ 436.03716 197.8
[M-H]- 412.04066 192.7
[M+NH4]+ 431.08176 199.6
[M+K]+ 452.01110 192.4
[M+H-H2O]+ 396.04520 179.6
[M+HCOO]- 458.04614 193.4
[M+CH3COO]- 472.06179 196.7
[M+Na-2H]- 434.02261 184.6
[M]+ 413.04739 186.8
[M]- 413.04849 186.8
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.