CID 342756

30065-12-4

Structural Information

Molecular Formula
C16H12N4OS
SMILES
CC1=CC(=CC=C1)N=NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C16H12N4OS/c1-10-5-4-6-11(9-10)18-19-14-15(21)20-13-8-3-2-7-12(13)17-16(20)22-14/h2-9,14H,1H3
InChIKey
LMFXTIUQSZPCFH-UHFFFAOYSA-N
Compound name
2-[(3-methylphenyl)diazenyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.07318 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08046 168.3
[M+Na]+ 331.06240 180.8
[M-H]- 307.06590 178.7
[M+NH4]+ 326.10700 188.1
[M+K]+ 347.03634 175.9
[M+H-H2O]+ 291.07044 160.6
[M+HCOO]- 353.07138 191.5
[M+CH3COO]- 367.08703 182.1
[M+Na-2H]- 329.04785 172.3
[M]+ 308.07263 175.1
[M]- 308.07373 175.1
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.