CID 1555814

Nsc634477

Structural Information

Molecular Formula
C14H8N2O2S
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C/C4=CC=CO4)/S3
InChI
InChI=1S/C14H8N2O2S/c17-13-12(8-9-4-3-7-18-9)19-14-15-10-5-1-2-6-11(10)16(13)14/h1-8H/b12-8-
InChIKey
OSDWYTGSQXYMNN-WQLSENKSSA-N
Compound name
(2Z)-2-(furan-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

268.03064 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.037916 157.3
[M+Na]+ 291.019858 173.2
[M-H]- 267.023364 167.4
[M+NH4]+ 286.064463 179.0
[M+K]+ 306.993798 169.5
[M+H-H2O]+ 251.027900 153.1
[M+HCOO]- 313.028841 179.7
[M+CH3COO]- 327.044491 173.0
[M+Na-2H]- 289.005306 159.7
[M]+ 268.03009142 166.8
[M]- 268.03118858 166.8
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.