CID 3008104

Acetamide, n-[2-cyano-5-(4-fluorophenyl)-6,7,8,9-tetrahydro-6-oxo-5h-thiazolo[2,3-b]quinazolin-3-yl]-

Structural Information

Molecular Formula
C19H15FN4O2S
SMILES
CC(=O)NC1=C(SC2=NC3=C(C(N12)C4=CC=C(C=C4)F)C(=O)CCC3)C#N
InChI
InChI=1S/C19H15FN4O2S/c1-10(25)22-18-15(9-21)27-19-23-13-3-2-4-14(26)16(13)17(24(18)19)11-5-7-12(20)8-6-11/h5-8,17H,2-4H2,1H3,(H,22,25)
InChIKey
FVWDFEMLHJKIDD-UHFFFAOYSA-N
Compound name
N-[2-cyano-5-(4-fluorophenyl)-6-oxo-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.08997 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09725 191.4
[M+Na]+ 405.07919 202.6
[M-H]- 381.08269 194.5
[M+NH4]+ 400.12379 203.2
[M+K]+ 421.05313 193.7
[M+H-H2O]+ 365.08723 176.4
[M+HCOO]- 427.08817 199.2
[M+CH3COO]- 441.10382 198.9
[M+Na-2H]- 403.06464 189.7
[M]+ 382.08942 186.1
[M]- 382.09052 186.1
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.