CID 6448447

Brn 4492069

Structural Information

Molecular Formula
C17H12N2OS
SMILES
CC1=CC(=CC=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H12N2OS/c1-11-5-4-6-12(9-11)10-15-16(20)19-14-8-3-2-7-13(14)18-17(19)21-15/h2-10H,1H3/b15-10+
InChIKey
JECWNODXJNCAAO-XNTDXEJSSA-N
Compound name
(2E)-2-[(3-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06705 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07433 166.6
[M+Na]+ 315.05627 182.0
[M-H]- 291.05977 175.3
[M+NH4]+ 310.10087 186.9
[M+K]+ 331.03021 174.9
[M+H-H2O]+ 275.06431 160.3
[M+HCOO]- 337.06525 187.5
[M+CH3COO]- 351.08090 180.9
[M+Na-2H]- 313.04172 169.2
[M]+ 292.06650 174.3
[M]- 292.06760 174.3
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.