CID 366229

Nsc634565

Structural Information

Molecular Formula
C14H9N3S
SMILES
C1=CC=C2C(=C1)C(=N)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C14H9N3S/c15-13-9-5-1-4-8-12(9)18-14-16-10-6-2-3-7-11(10)17(13)14/h1-8,15H
InChIKey
KJVAFPISJGKUBC-UHFFFAOYSA-N
Compound name
benzimidazolo[2,1-b][1,3]benzothiazin-12-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05171 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05899 149.3
[M+Na]+ 274.04093 163.9
[M-H]- 250.04443 155.0
[M+NH4]+ 269.08553 169.9
[M+K]+ 290.01487 156.8
[M+H-H2O]+ 234.04897 142.7
[M+HCOO]- 296.04991 169.2
[M+CH3COO]- 310.06556 163.5
[M+Na-2H]- 272.02638 159.2
[M]+ 251.05116 154.7
[M]- 251.05226 154.7
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.