CID 135415639

8h-pyrimido[4',5':4,5]thiazolo[2,3-b]quinazoline-4,10(3h,9h)-dione, 11-(4-fluorophenyl)-7,11-dihydro-

Structural Information

Molecular Formula
C18H13FN4O2S
SMILES
C1CC2=C(C(N3C4=C(C(=O)NC=N4)SC3=N2)C5=CC=C(C=C5)F)C(=O)C1
InChI
InChI=1S/C18H13FN4O2S/c19-10-6-4-9(5-7-10)14-13-11(2-1-3-12(13)24)22-18-23(14)16-15(26-18)17(25)21-8-20-16/h4-8,14H,1-3H2,(H,20,21,25)
InChIKey
ZJYAUDXRPPTIPE-UHFFFAOYSA-N
Compound name
9-(4-fluorophenyl)-17-thia-2,10,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),11(16),12-tetraene-7,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.0743 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08158 183.2
[M+Na]+ 391.06352 194.8
[M-H]- 367.06702 185.2
[M+NH4]+ 386.10812 195.1
[M+K]+ 407.03746 186.3
[M+H-H2O]+ 351.07156 173.5
[M+HCOO]- 413.07250 190.1
[M+CH3COO]- 427.08815 192.0
[M+Na-2H]- 389.04897 184.4
[M]+ 368.07375 182.4
[M]- 368.07485 182.4
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.