CID 1555908

2-((3-hydroxyphenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C16H10N2O2S
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C\C4=CC(=CC=C4)O)/S3
InChI
InChI=1S/C16H10N2O2S/c19-11-5-3-4-10(8-11)9-14-15(20)18-13-7-2-1-6-12(13)17-16(18)21-14/h1-9,19H/b14-9+
InChIKey
PHLFMNFVQWJNBR-NTEUORMPSA-N
Compound name
(2E)-2-[(3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0463 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05358 165.1
[M+Na]+ 317.03552 180.1
[M-H]- 293.03902 172.7
[M+NH4]+ 312.08012 184.5
[M+K]+ 333.00946 173.1
[M+H-H2O]+ 277.04356 159.3
[M+HCOO]- 339.04450 185.0
[M+CH3COO]- 353.06015 179.0
[M+Na-2H]- 315.02097 168.2
[M]+ 294.04575 172.1
[M]- 294.04685 172.1
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.