CID 326282

64411-78-5

Structural Information

Molecular Formula
C11H7ClN2OS
SMILES
CC1=CC(=O)N2C3=C(C=C(C=C3)Cl)N=C2S1
InChI
InChI=1S/C11H7ClN2OS/c1-6-4-10(15)14-9-3-2-7(12)5-8(9)13-11(14)16-6/h2-5H,1H3
InChIKey
SLVMEQWPWQMKLV-UHFFFAOYSA-N
Compound name
8-chloro-2-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.99677 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00405 148.8
[M+Na]+ 272.98599 164.4
[M-H]- 248.98949 153.6
[M+NH4]+ 268.03059 169.9
[M+K]+ 288.95993 158.1
[M+H-H2O]+ 232.99403 143.5
[M+HCOO]- 294.99497 162.8
[M+CH3COO]- 309.01062 163.4
[M+Na-2H]- 270.97144 154.0
[M]+ 249.99622 157.0
[M]- 249.99732 157.0
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.