CID 9571643

Nsc694227

Structural Information

Molecular Formula
C10H8N4OS
SMILES
C1C(=O)N/N=C\N2C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C10H8N4OS/c15-9-5-16-10-12-7-3-1-2-4-8(7)14(10)6-11-13-9/h1-4,6H,5H2,(H,13,15)/b11-6-
InChIKey
ANYAGMBJIYRZTF-WDZFZDKYSA-N
Compound name
(5Z)-4H-[1,3,5,6]thiatriazocino[3,2-a]benzimidazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04189 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04917 154.5
[M+Na]+ 255.03111 161.6
[M-H]- 231.03461 154.8
[M+NH4]+ 250.07571 162.1
[M+K]+ 271.00505 160.2
[M+H-H2O]+ 215.03915 150.3
[M+HCOO]- 277.04009 160.5
[M+CH3COO]- 291.05574 159.2
[M+Na-2H]- 253.01656 154.9
[M]+ 232.04134 155.1
[M]- 232.04244 155.1
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.