CID 326283

2-methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one

Structural Information

Molecular Formula
C11H7N3O3S
SMILES
CC1=CC(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2S1
InChI
InChI=1S/C11H7N3O3S/c1-6-4-10(15)13-9-3-2-7(14(16)17)5-8(9)12-11(13)18-6/h2-5H,1H3
InChIKey
POWIWPDTQMHRHK-UHFFFAOYSA-N
Compound name
2-methyl-8-nitro-[1,3]thiazino[3,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02808 151.0
[M+Na]+ 284.01002 163.1
[M-H]- 260.01352 155.7
[M+NH4]+ 279.05462 169.2
[M+K]+ 299.98396 154.6
[M+H-H2O]+ 244.01806 149.0
[M+HCOO]- 306.01900 170.4
[M+CH3COO]- 320.03465 188.6
[M+Na-2H]- 281.99547 159.1
[M]+ 261.02025 155.2
[M]- 261.02135 155.2
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

No patent data available for this compound.