CID 382395

Nsc669953

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
COC1=CC(=C2C(=C1)SC(C(=O)N2)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O4S/c1-21-10-7-11(17(19)20)13-12(8-10)22-14(15(18)16-13)9-5-3-2-4-6-9/h2-8,14H,1H3,(H,16,18)
InChIKey
BRMQXRYCANTWGO-UHFFFAOYSA-N
Compound name
7-methoxy-5-nitro-2-phenyl-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.059076 166.4
[M+Na]+ 339.041018 172.8
[M-H]- 315.044524 171.2
[M+NH4]+ 334.085623 179.1
[M+K]+ 355.014958 163.5
[M+H-H2O]+ 299.049060 162.7
[M+HCOO]- 361.050001 180.9
[M+CH3COO]- 375.065651 196.6
[M+Na-2H]- 337.026466 171.5
[M]+ 316.05125142 164.6
[M]- 316.05234858 164.6
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.