CID 342754

21578-53-0

Structural Information

Molecular Formula
C15H10N4OS
SMILES
C1=CC=C(C=C1)N=NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C15H10N4OS/c20-14-13(18-17-10-6-2-1-3-7-10)21-15-16-11-8-4-5-9-12(11)19(14)15/h1-9,13H
InChIKey
KXHFBDPRZYXQAP-UHFFFAOYSA-N
Compound name
2-phenyldiazenyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.05753 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06481 162.8
[M+Na]+ 317.04675 175.1
[M-H]- 293.05025 173.1
[M+NH4]+ 312.09135 183.0
[M+K]+ 333.02069 170.4
[M+H-H2O]+ 277.05479 155.2
[M+HCOO]- 339.05573 186.5
[M+CH3COO]- 353.07138 176.9
[M+Na-2H]- 315.03220 168.1
[M]+ 294.05698 169.0
[M]- 294.05808 169.0
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.