CID 3008100

3-amino-5-(4-fluorophenyl)-6-oxo-5,7,8,9-tetrahydrothiazolo[2,3-b]quinazoline-2-carbonitrile

Structural Information

Molecular Formula
C17H13FN4OS
SMILES
C1CC2=C(C(N3C(=C(SC3=N2)C#N)N)C4=CC=C(C=C4)F)C(=O)C1
InChI
InChI=1S/C17H13FN4OS/c18-10-6-4-9(5-7-10)15-14-11(2-1-3-12(14)23)21-17-22(15)16(20)13(8-19)24-17/h4-7,15H,1-3,20H2
InChIKey
JGWWJDVWRVSWPH-UHFFFAOYSA-N
Compound name
3-amino-5-(4-fluorophenyl)-6-oxo-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0794 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08668 180.4
[M+Na]+ 363.06862 192.9
[M-H]- 339.07212 183.3
[M+NH4]+ 358.11322 193.8
[M+K]+ 379.04256 183.4
[M+H-H2O]+ 323.07666 165.6
[M+HCOO]- 385.07760 188.9
[M+CH3COO]- 399.09325 188.8
[M+Na-2H]- 361.05407 179.4
[M]+ 340.07885 173.7
[M]- 340.07995 173.7
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.