CID 2902200

421567-07-9

Structural Information

Molecular Formula
C21H19FN2O2S
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C21H19FN2O2S/c1-12-18(21(26)24-14-6-2-5-13(22)11-14)20(17-9-4-10-27-17)19-15(23-12)7-3-8-16(19)25/h2,4-6,9-11,20,23H,3,7-8H2,1H3,(H,24,26)
InChIKey
ZXEASXKILYTGBC-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12238 188.0
[M+Na]+ 405.10432 194.9
[M-H]- 381.10782 194.6
[M+NH4]+ 400.14892 200.7
[M+K]+ 421.07826 187.5
[M+H-H2O]+ 365.11236 179.2
[M+HCOO]- 427.11330 199.7
[M+CH3COO]- 441.12895 196.8
[M+Na-2H]- 403.08977 185.3
[M]+ 382.11455 184.8
[M]- 382.11565 184.8
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

No patent data available for this compound.