CID 384820

Nsc675272

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
CC(=O)OC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2
InChI
InChI=1S/C17H14N2O2S/c1-11(20)21-13-8-6-12(7-9-13)17-19-15-5-3-2-4-14(15)18-16(19)10-22-17/h2-9,17H,10H2,1H3
InChIKey
KOVSNYGBSNCEGB-UHFFFAOYSA-N
Compound name
[4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0776 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 171.0
[M+Na]+ 333.06682 182.4
[M-H]- 309.07032 178.5
[M+NH4]+ 328.11142 189.8
[M+K]+ 349.04076 177.6
[M+H-H2O]+ 293.07486 164.4
[M+HCOO]- 355.07580 188.0
[M+CH3COO]- 369.09145 183.6
[M+Na-2H]- 331.05227 171.8
[M]+ 310.07705 177.0
[M]- 310.07815 177.0
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.