CID 3077509

3,9-dimethylthiazolo(3,2-a)benzimidazolium iodide

Structural Information

Molecular Formula
C11H11N2S
SMILES
CC1=CSC2=[N+](C3=CC=CC=C3N12)C
InChI
InChI=1S/C11H11N2S/c1-8-7-14-11-12(2)9-5-3-4-6-10(9)13(8)11/h3-7H,1-2H3/q+1
InChIKey
AZPNRVNDCZDZMN-UHFFFAOYSA-N
Compound name
1,4-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.0643 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07158 140.8
[M+Na]+ 226.05352 155.7
[M-H]- 202.05702 146.6
[M+NH4]+ 221.09812 164.7
[M+K]+ 242.02746 146.2
[M+H-H2O]+ 186.06156 138.4
[M+HCOO]- 248.06250 161.3
[M+CH3COO]- 262.07815 178.5
[M+Na-2H]- 224.03897 147.6
[M]+ 203.06375 147.2
[M]- 203.06485 147.2
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

patents stripe