CID 5275233

Thieno[2,3-b]pyridine-5-carboxamide, n-[(4-chlorophenyl)methyl]-2,3,4,7-tetrahydro-7-methyl-2-(4-morpholinylmethyl)-4-oxo-

Structural Information

Molecular Formula
C21H24ClN3O3S
SMILES
CN1C=C(C(=O)C2=C1SC(C2)CN3CCOCC3)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H24ClN3O3S/c1-24-13-18(20(27)23-11-14-2-4-15(22)5-3-14)19(26)17-10-16(29-21(17)24)12-25-6-8-28-9-7-25/h2-5,13,16H,6-12H2,1H3,(H,23,27)
InChIKey
JPVDNAMQPKVLEX-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholin-4-ylmethyl)-4-oxo-2,3-dihydrothieno[2,3-b]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.12268 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12996 201.8
[M+Na]+ 456.11190 208.6
[M-H]- 432.11540 209.9
[M+NH4]+ 451.15650 211.4
[M+K]+ 472.08584 203.0
[M+H-H2O]+ 416.11994 193.3
[M+HCOO]- 478.12088 208.1
[M+CH3COO]- 492.13653 209.9
[M+Na-2H]- 454.09735 199.0
[M]+ 433.12213 204.4
[M]- 433.12323 204.4
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.