CID 418179

Nsc98879

Structural Information

Molecular Formula
C15H11N2S
SMILES
C1=CC=C(C=C1)C2=CSC3=[N+]2C4=CC=CC=C4N3
InChI
InChI=1S/C15H10N2S/c1-2-6-11(7-3-1)14-10-18-15-16-12-8-4-5-9-13(12)17(14)15/h1-10H/p+1
InChIKey
RCBRAUDXOGLXQO-UHFFFAOYSA-O
Compound name
1-phenyl-4H-[1,3]thiazolo[3,2-a]benzimidazol-9-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.0643 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07158 154.0
[M+Na]+ 274.05352 167.3
[M-H]- 250.05702 161.2
[M+NH4]+ 269.09812 174.5
[M+K]+ 290.02746 155.3
[M+H-H2O]+ 234.06156 150.5
[M+HCOO]- 296.06250 173.3
[M+CH3COO]- 310.07815 167.8
[M+Na-2H]- 272.03897 161.2
[M]+ 251.06375 157.2
[M]- 251.06485 157.2
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.