CID 6475773

(2z)-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylene]-5,7,8,9-tetrahydrothiazolo[2,3-b]quinazoline-3,6-dione

Structural Information

Molecular Formula
C23H16Cl2N2O2S
SMILES
C1CC2=C(C(N3C(=O)/C(=C/C4=CC=C(C=C4)Cl)/SC3=N2)C5=CC=C(C=C5)Cl)C(=O)C1
InChI
InChI=1S/C23H16Cl2N2O2S/c24-15-8-4-13(5-9-15)12-19-22(29)27-21(14-6-10-16(25)11-7-14)20-17(26-23(27)30-19)2-1-3-18(20)28/h4-12,21H,1-3H2/b19-12-
InChIKey
FQBUELUSVMUGNH-UNOMPAQXSA-N
Compound name
(2Z)-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.03094 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.03822 206.1
[M+Na]+ 477.02016 218.8
[M-H]- 453.02366 214.9
[M+NH4]+ 472.06476 218.4
[M+K]+ 492.99410 209.1
[M+H-H2O]+ 437.02820 197.6
[M+HCOO]- 499.02914 209.9
[M+CH3COO]- 513.04479 215.3
[M+Na-2H]- 475.00561 204.1
[M]+ 454.03039 211.6
[M]- 454.03149 211.6
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.