CID 24846809

Brn 4497898

Structural Information

Molecular Formula
C18H14N2OS
SMILES
CC1=CC(=CC(=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2)C
InChI
InChI=1S/C18H14N2OS/c1-11-7-12(2)9-13(8-11)10-16-17(21)20-15-6-4-3-5-14(15)19-18(20)22-16/h3-10H,1-2H3/b16-10+
InChIKey
WOSYCFJRYCOGJY-MHWRWJLKSA-N
Compound name
(2E)-2-[(3,5-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.08267 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08995 171.4
[M+Na]+ 329.07189 187.0
[M-H]- 305.07539 180.3
[M+NH4]+ 324.11649 191.3
[M+K]+ 345.04583 179.8
[M+H-H2O]+ 289.07993 165.1
[M+HCOO]- 351.08087 191.8
[M+CH3COO]- 365.09652 185.5
[M+Na-2H]- 327.05734 172.8
[M]+ 306.08212 179.8
[M]- 306.08322 179.8
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.