CID 362000

1h,3h-thiazolo(3,4-a)benzimidazole, 1-(3-methoxyphenyl)-

Structural Information

Molecular Formula
C16H14N2OS
SMILES
COC1=CC=CC(=C1)C2N3C(=NC4=CC=CC=C43)CS2
InChI
InChI=1S/C16H14N2OS/c1-19-12-6-4-5-11(9-12)16-18-14-8-3-2-7-13(14)17-15(18)10-20-16/h2-9,16H,10H2,1H3
InChIKey
KZLPIHZICDIAQU-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.08267 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 162.8
[M+Na]+ 305.07189 175.1
[M-H]- 281.07539 170.4
[M+NH4]+ 300.11649 183.1
[M+K]+ 321.04583 169.9
[M+H-H2O]+ 265.07993 156.3
[M+HCOO]- 327.08087 181.0
[M+CH3COO]- 341.09652 176.2
[M+Na-2H]- 303.05734 165.0
[M]+ 282.08212 168.5
[M]- 282.08322 168.5
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.