CID 418137

Nsc98833

Structural Information

Molecular Formula
C10H9N2S
SMILES
CC1=CSC2=[N+]1C3=CC=CC=C3N2
InChI
InChI=1S/C10H8N2S/c1-7-6-13-10-11-8-4-2-3-5-9(8)12(7)10/h2-6H,1H3/p+1
InChIKey
NAVVCVXQHMJHJA-UHFFFAOYSA-O
Compound name
1-methyl-4H-[1,3]thiazolo[3,2-a]benzimidazol-9-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04865 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05593 135.8
[M+Na]+ 212.03787 149.9
[M-H]- 188.04137 140.1
[M+NH4]+ 207.08247 159.4
[M+K]+ 228.01181 139.8
[M+H-H2O]+ 172.04591 133.7
[M+HCOO]- 234.04685 155.3
[M+CH3COO]- 248.06250 150.9
[M+Na-2H]- 210.02332 143.6
[M]+ 189.04810 139.8
[M]- 189.04920 139.8
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.