CID 419919

Nsc119885

Structural Information

Molecular Formula
C15H11N2OS
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3[N+]4=C2SC=C4O
InChI
InChI=1S/C15H10N2OS/c18-14-10-19-15-16(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17(14)15/h1-10H/p+1
InChIKey
DDERVQTWSZJDHQ-UHFFFAOYSA-O
Compound name
4-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-9-ium-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0592 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06648 158.2
[M+Na]+ 290.04842 171.9
[M-H]- 266.05192 165.7
[M+NH4]+ 285.09302 178.2
[M+K]+ 306.02236 160.5
[M+H-H2O]+ 250.05646 154.8
[M+HCOO]- 312.05740 177.6
[M+CH3COO]- 326.07305 172.0
[M+Na-2H]- 288.03387 164.9
[M]+ 267.05865 163.1
[M]- 267.05975 163.1
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.