CID 1934733

Nsc633948

Structural Information

Molecular Formula
C16H8Cl2N2OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/S3
InChI
InChI=1S/C16H8Cl2N2OS/c17-10-6-5-9(11(18)8-10)7-14-15(21)20-13-4-2-1-3-12(13)19-16(20)22-14/h1-8H/b14-7-
InChIKey
VVFZQPPWRYCMBO-AUWJEWJLSA-N
Compound name
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.97345 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.98073 178.2
[M+Na]+ 368.96267 195.3
[M-H]- 344.96617 186.2
[M+NH4]+ 364.00727 197.6
[M+K]+ 384.93661 186.6
[M+H-H2O]+ 328.97071 172.6
[M+HCOO]- 390.97165 189.2
[M+CH3COO]- 404.98730 191.6
[M+Na-2H]- 366.94812 179.0
[M]+ 345.97290 188.7
[M]- 345.97400 188.7
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.