CID 15991547

2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide

Structural Information

Molecular Formula
C16H12ClN3O2S
SMILES
C1[C@H](C(=O)NC2=CC=CC=C21)NC(=O)C3=CC4=C(N3)SC(=C4)Cl
InChI
InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22)/t11-/m1/s1
InChIKey
LJAHIGGEXIWVJG-LLVKDONJSA-N
Compound name
2-chloro-N-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

345.03387 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04115 175.8
[M+Na]+ 368.02309 186.4
[M-H]- 344.02659 180.5
[M+NH4]+ 363.06769 192.4
[M+K]+ 383.99703 178.6
[M+H-H2O]+ 328.03113 170.6
[M+HCOO]- 390.03207 185.3
[M+CH3COO]- 404.04772 186.3
[M+Na-2H]- 366.00854 175.8
[M]+ 345.03332 177.9
[M]- 345.03442 177.9
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

patents stripe