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]+ 269.03792 157.3
[M+Na]+ 291.01986 173.2
[M-H]- 267.02336 167.4
[M+NH4]+ 286.06446 179.0
[M+K]+ 306.99380 169.5
[M+H-H2O]+ 251.02790 153.1
[M+HCOO]- 313.02884 179.7
[M+CH3COO]- 327.04449 173.0
[M+Na-2H]- 289.00531 159.7
[M]+ 268.03009 166.8
[M]- 268.03119 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.