CID 361997

136994-96-2

Structural Information

Molecular Formula
C16H14N2S
SMILES
CC1=CC(=CC=C1)C2N3C(=NC4=CC=CC=C43)CS2
InChI
InChI=1S/C16H14N2S/c1-11-5-4-6-12(9-11)16-18-14-8-3-2-7-13(14)17-15(18)10-19-16/h2-9,16H,10H2,1H3
InChIKey
DXMCBXOONDVGLN-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.08777 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 159.4
[M+Na]+ 289.07699 171.9
[M-H]- 265.08049 167.0
[M+NH4]+ 284.12159 180.4
[M+K]+ 305.05093 166.2
[M+H-H2O]+ 249.08503 152.9
[M+HCOO]- 311.08597 177.4
[M+CH3COO]- 325.10162 173.0
[M+Na-2H]- 287.06244 161.4
[M]+ 266.08722 163.7
[M]- 266.08832 163.7
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.