CID 395909

Nsc701004

Structural Information

Molecular Formula
C22H14Cl2N2OS
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C22H14Cl2N2OS/c23-15-7-4-8-16(24)20(15)22-26-18-11-14(21(27)13-5-2-1-3-6-13)9-10-17(18)25-19(26)12-28-22/h1-11,22H,12H2
InChIKey
VYPGAZQJNTXJSS-UHFFFAOYSA-N
Compound name
[1-(2,6-dichlorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-7-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.0204 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.02768 199.8
[M+Na]+ 447.00962 212.8
[M-H]- 423.01312 209.6
[M+NH4]+ 442.05422 215.1
[M+K]+ 462.98356 204.2
[M+H-H2O]+ 407.01766 192.5
[M+HCOO]- 469.01860 206.3
[M+CH3COO]- 483.03425 210.3
[M+Na-2H]- 444.99507 197.1
[M]+ 424.01985 207.7
[M]- 424.02095 207.7
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.