CID 5841442

2-((2-me-2h-chromen-3-yl)methylene)(1,3)thiazolo(3,2-a)benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C20H14N2O2S
SMILES
CC1C(=CC2=CC=CC=C2O1)/C=C\3/C(=O)N4C5=CC=CC=C5N=C4S3
InChI
InChI=1S/C20H14N2O2S/c1-12-14(10-13-6-2-5-9-17(13)24-12)11-18-19(23)22-16-8-4-3-7-15(16)21-20(22)25-18/h2-12H,1H3/b18-11-
InChIKey
ICMUNDGFWAFQCN-WQRHYEAKSA-N
Compound name
(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0776 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08488 179.7
[M+Na]+ 369.06682 194.7
[M-H]- 345.07032 189.6
[M+NH4]+ 364.11142 197.2
[M+K]+ 385.04076 188.5
[M+H-H2O]+ 329.07486 173.4
[M+HCOO]- 391.07580 197.1
[M+CH3COO]- 405.09145 192.9
[M+Na-2H]- 367.05227 182.3
[M]+ 346.07705 188.0
[M]- 346.07815 188.0
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.