CID 1005097

3-amino-n-(4-fluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

Structural Information

Molecular Formula
C19H18FN3OS
SMILES
C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=C(C=C4)F
InChI
InChI=1S/C19H18FN3OS/c20-12-6-8-13(9-7-12)22-18(24)17-16(21)14-10-11-4-2-1-3-5-15(11)23-19(14)25-17/h6-10H,1-5,21H2,(H,22,24)
InChIKey
GNWMIGGWYVJKDX-UHFFFAOYSA-N
Compound name
6-amino-N-(4-fluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

355.11545 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12273 177.6
[M+Na]+ 378.10467 187.2
[M+NH4]+ 373.14927 185.0
[M+K]+ 394.07861 181.3
[M-H]- 354.10817 181.3
[M+Na-2H]- 376.09012 183.0
[M]+ 355.11490 180.3
[M]- 355.11600 180.3
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